SCHEMBL6978041

SCHEMBL6978041

OCCCOc1ccc(Nc2ccnc(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
KCNH2 Q12809 2/20 0.46
SCN9A Q15858 2/20 0.46
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CDK2 P24941 7/20 0.43
CDK4 P11802 6/20 0.43
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
ROCK1 Q13464 2/20 0.40
AURKA O14965 2/20 0.40
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 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
SCHEMBL6976469 0.93 SYK (0.49) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL6981375 0.78 MAPKAPK2 (0.46) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL4818944 0.78 MAPT (0.69) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL6981015 0.77 SYK (0.50) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL15522350 0.75 SCN9A (0.59) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL29763706 0.75 KCNH2 (0.49) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL655364 0.74 ROCK1 (0.51) SYKKCNH2SCN9AMAPTMEN1
SCHEMBL6968704 0.73 IGF1R (0.65) SYKMAPTMEN1NPC1LMNA
SCHEMBL3302653 0.72 LMNA (0.67) KCNH2SCN9AMAPTMEN1NPC1
SCHEMBL5263722 0.72 PIK3CA (0.48) SYKKCNH2SCN9AMAPTMEN1

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-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