SCHEMBL29964800

SCHEMBL29964800

COc1ccc(Br)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
AR P10275 7/20 0.46
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
EGFR P00533 2/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL393816 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL286644 0.88 AR (0.53) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL1395661 0.83 MAOB (0.61) ALDH1A1KDM4EUSP2MAOAMAOB
SCHEMBL30475151 0.83 MAOB (0.61) ALDH1A1KDM4EUSP2MAOAMAOB
SCHEMBL3578378 0.80 XDH (0.51) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL16952060 0.80 KDM4E (0.39) ALDH1A1KDM4EUSP2
SCHEMBL14661896 0.80 KDM4E (0.39) ALDH1A1KDM4EUSP2
SCHEMBL14661858 0.80 PYCR1 (0.44) ALDH1A1KDM4EUSP2
SCHEMBL392560 0.79 MAOB (0.47) ALDH1A1ARMAOAMAOBEGFR
SCHEMBL1293570 0.79 XDH (0.48) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4518974-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 WO disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed