SCHEMBL3908276

SCHEMBL3908276

CNc1cc(C)c(C#N)c(NC)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
AURKA O14965 2/20 0.43
KDM4E B2RXH2 7/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.39
KLK7 P49862 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14471354 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL18055562 0.83 KDM4E (0.43) ALDH1A1AURKAKDM4EMEN1KMT2A
SCHEMBL11703204 0.81 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29986241 0.80 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL10102084 0.80 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL23758044 0.80 L3MBTL1 (0.51) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL25569641 0.79 MAPK1 (0.44) ALDH1A1AURKAKDM4EMEN1KMT2A
SCHEMBL11326931 0.75 MAPK8 (0.51) ALDH1A1AURKAKDM4EKMT2AHSD17B10
SCHEMBL11739178 0.74 MAPK8 (0.51) ALDH1A1AURKAKDM4EHSD17B10HPGD
SCHEMBL11720169 0.74 CCNA2 (0.44) ALDH1A1AURKAKDM4EMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2015848-A1 2, 3, 4, 6-SUBSTITUTED PYRIDINES AND THEIR USE AS HAIR DYEING COMPOSITIONS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-01-21 EP disclosed
WO-2007122197-A1 2, 3, 4, 6-SUBSTITUTED PYRIDINES AND THEIR USE AS HAIR DYEING COMPOSITIONS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-11-01 WO disclosed
EP-1849500-A1 2, 3, 4, 6-Substituted pyridines and their use as hair dyeing compositions DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-31 EP disclosed
US-4134887-A FIBER-REACTIVE HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4066638-A WATER-SOLUBLE FIBER REACTIVE PHENYL-AZO-NAPHTHYL DYESTUFFS CONTAINING TWO SULFO GROUPS IN THE PHENYL MOIETY HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed
US-4061642-A AZO DYE INTERMEDIATES CASSELLA FARBWERKE MAINKUR AG (DT) 1977-12-06 US disclosed
US-3980659-A INSECTICIDES, INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3956294-A AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 US disclosed