SCHEMBL6979267

SCHEMBL6979267

COc1cc(Nc2ccnc(Cl)n2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.54
EGFR P00533 3/20 0.54
ROCK1 Q13464 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SRC P12931 1/20 0.45
ZAP70 P43403 1/20 0.45
SYK P43405 1/20 0.45
FGFR1 P11362 1/20 0.43
ERBB3 P21860 1/20 0.43
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6978657 0.87 EGFR (0.72) IGF1REGFRROCK1MEN1KMT2A
SCHEMBL4818944 0.86 MAPT (0.69) IGF1REGFRROCK1MEN1KMT2A
SCHEMBL5659285 0.82 IGF1R (0.58) IGF1REGFRMEN1KMT2ACDK2
SCHEMBL18083736 0.81 EGFR (0.47) IGF1REGFRROCK1MEN1KMT2A
SCHEMBL6977133 0.79 MAPT (0.57) IGF1REGFRROCK1MEN1KMT2A
SCHEMBL16665238 0.78 ROCK1 (0.51) IGF1RROCK1MEN1KMT2AMAPT
SCHEMBL15741249 0.78 IGF1R (0.60) IGF1RMEN1KMT2AMAPTNPC1
SCHEMBL30060569 0.78 IGF1R (0.60) IGF1RMEN1KMT2AMAPTNPC1
SCHEMBL4820325 0.77 GAA (0.62) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL3638254 0.77 LCK (0.56) 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 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