SCHEMBL7096071

SCHEMBL7096071

N#Cc1ccccc1-c1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
PIK3CD O00329 3/20 0.47
AHR P35869 2/20 0.43
MAPK14 Q16539 4/20 0.43
ASH1L Q9NR48 1/20 0.41
BRD4 O60885 1/20 0.40
ESR2 Q92731 1/20 0.40
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
ADK P55263 1/20 0.39
PIK3CB P42338 2/20 0.39
PRKCQ Q04759 2/20 0.39
PRKCD Q05655 2/20 0.39

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
SCHEMBL3304532 0.85 PIK3CD (0.44) IMPDH2IMPDH1PIK3CDAHRMAPK14
SCHEMBL30309353 0.83 IMPDH2 (0.57) IMPDH2IMPDH1PIK3CDAHRTRPA1
SCHEMBL403956 0.83 IMPDH2 (0.57) IMPDH2IMPDH1PIK3CDAHRTRPA1
SCHEMBL20540332 0.81 PIK3CD (0.64) PIK3CDAHRMAPK14ASH1LPIK3CB
SCHEMBL3726444 0.81 PRKCQ (0.46) PIK3CDBRD4TRPA1PRKCQPRKCD
SCHEMBL2358699 0.81 IMPDH2 (0.65) IMPDH2IMPDH1PRKCQPRKCD
SCHEMBL30608285 0.81 IMPDH2 (0.65) IMPDH2IMPDH1PRKCQPRKCD
SCHEMBL31264046 0.81 IMPDH2 (0.65) IMPDH2IMPDH1PRKCQPRKCD
SCHEMBL3073580 0.76 PIK3CD (0.46) PIK3CDPIK3CBPRKCQPRKCDPIK3CG
SCHEMBL29709559 0.76 PIK3CD (0.44) PIK3CDAHRMAPK14ASH1LPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed