SCHEMBL6978657

SCHEMBL6978657

COc1cccc(Nc2ccnc(Cl)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.72
ROCK1 Q13464 1/20 0.71
ERBB3 P21860 2/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
IGF1R P08069 1/20 0.58
KDR P35968 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PIK3CG P48736 5/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 4/20 0.53
EPHB4 P54760 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
POLB P06746 1/20 0.50
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49

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
SCHEMBL6979267 0.87 IGF1R (0.54) EGFRROCK1ERBB3MEN1KMT2A
SCHEMBL6969576 0.86 EGFR (0.54) EGFRROCK1ERBB3MEN1KMT2A
SCHEMBL1377802 0.84 EGFR (1.00) EGFRROCK1MEN1KMT2AMAPT
SCHEMBL12968972 0.83 ROCK1 (1.00) EGFRROCK1ERBB3MEN1KMT2A
SCHEMBL6980608 0.82 IGF1R (0.60) EGFRROCK1IGF1R
SCHEMBL4818944 0.82 MAPT (0.69) EGFRROCK1MEN1KMT2AMAPT
SCHEMBL17915954 0.82 EGFR (0.84) EGFRROCK1ERBB3MEN1KMT2A
SCHEMBL18083736 0.81 EGFR (0.47) EGFRROCK1ERBB3MEN1KMT2A
SCHEMBL13166085 0.81 NFKB1 (0.58) EGFRROCK1MAPK1KDRPIK3CG
SCHEMBL31046394 0.81 EGFR (0.92) EGFRROCK1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed