SCHEMBL6976469

SCHEMBL6976469

OCCOc1ccc(Nc2ccnc(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
KCNH2 Q12809 2/20 0.47
SCN9A Q15858 2/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
CDK4 P11802 6/20 0.44
CDK2 P24941 6/20 0.44
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
AURKA O14965 1/20 0.41
ROCK1 Q13464 2/20 0.41
RECQL P46063 1/20 0.39
ESR1 P03372 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL6978041 0.93 SYK (0.48) SYKKCNH2SCN9AMAPTALDH1A1
SCHEMBL6981375 0.79 MAPKAPK2 (0.46) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL4818944 0.79 MAPT (0.69) SYKKCNH2SCN9AMAPTALDH1A1
SCHEMBL6981015 0.78 SYK (0.50) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL15522350 0.77 SCN9A (0.59) SYKKCNH2SCN9AMAPTALDH1A1
SCHEMBL29763706 0.76 KCNH2 (0.49) SYKKCNH2SCN9AMAPTALDH1A1
SCHEMBL11774653 0.76 ALDH1A1 (0.58) SYKMAPTALDH1A1MEN1NPC1
SCHEMBL655364 0.75 ROCK1 (0.51) SYKKCNH2SCN9AMAPTALDH1A1
SCHEMBL1702580 0.75 SRC (0.42) SYKSCN9AMAPTALDH1A1NPC1
SCHEMBL7777355 0.74 NPC1 (0.54) SCN9AMEN1NPC1RAB9AKMT2A

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