SCHEMBL7717600

SCHEMBL7717600

CC(C)Nc1n[c]nc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KCNH3 Q9ULD8 4/20 0.37
HTT P42858 3/20 0.35
MAPK1 P28482 2/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8542789 0.84 GAA (0.52) GAATDP1KCNH3HTTMAPK1
SCHEMBL6547290 0.76
SCHEMBL9485483 0.75 GAA (0.52) GAATDP1KCNH3HTTMAPK1
SCHEMBL8643829 0.72 CSNK2A2 (0.36) ALDH1A1KDM4E
SCHEMBL6547123 0.71 LMNA (0.39) GAAHTTLMNAKMT2AMEN1
SCHEMBL11136697 0.68 CYP1A2 (0.37) KCNH3LMNAKMT2AMEN1CYP1A2
SCHEMBL1401090 0.68
SCHEMBL9818452 0.67 KCNH3 (0.41) GAATDP1KCNH3HTTMAPK1
SCHEMBL7720129 0.66 KDM4E (0.43) GAAHTTKMT2AKDM4E
SCHEMBL6562088 0.66 APP (0.44) GAAKCNH3HTTMAPK1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5744589-A FOR DYEING OR PRINTING SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-28 US claimed
EP-0142104-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
EP-0144776-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-10-11 EP claimed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP claimed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP claimed
US-6376656-B1 DISAZO DYES, TRIAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-23 US disclosed
US-6136970-A COLORFAST FIBER-REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-24 US disclosed
US-6046311-A Water-soluble fiber-reactive dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-04-04 US disclosed
US-6025478-A HIGH REACTIVITY AND FIXING CAPACITY, GOOD LOW TEMPERATURE DYEING, GOOD COLOR INTENSITY, LIGHTFASTNESS, WASHFASTNESS BAYER AG (DE) 2000-02-15 US disclosed
US-5955615-A COUPLERS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5931975-A TRIAZINE REACTIVE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
US-5892006-A CONTAINING S-TRIAZINE RINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-04-06 US disclosed
US-4622396-A FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
US-4460505-A Dyestuffs, processes for their preparation and their use for dyeing materials containing hydroxyl groups or nitrogen BAYER AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed