SCHEMBL357992

SCHEMBL357992

Cn1c(=NC#N)[nH]c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3nc(CCN3CCOCC3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.46
▸ MTOR P42345 2/20 0.38
▸ MAP3K12 Q12852 7/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MET P08581 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MAP3K13 O43283 1/20 0.33

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
SCHEMBL367962 0.78 PIK3CA (0.48) PIK3CAMTORAURKAAURKBPIK3CD
SCHEMBL367961 0.78 PIK3CA (0.48) PIK3CAMTORAURKAAURKBPIK3CD
SCHEMBL9905206 0.71 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL367915 0.66 PIK3CA (0.47) PIK3CAMTORMAP3K12AURKBLRRK2
SCHEMBL369429 0.66 PIK3CA (0.47) PIK3CAMTORMAP3K12AURKBLRRK2
SCHEMBL368584 0.65 PIK3CA (0.45) PIK3CAMTORAURKBLRRK2PIK3CD
SCHEMBL359243 0.65 PIK3CA (0.43) PIK3CAMTORAURKBLRRK2PIK3CD
SCHEMBL359242 0.65 PIK3CA (0.43) PIK3CAMTORAURKBLRRK2PIK3CD
SCHEMBL368585 0.65 PIK3CA (0.45) PIK3CAMTORAURKBLRRK2PIK3CD
SCHEMBL367393 0.65 PIK3CA (0.48) PIK3CAMTORMAP3K12AURKBLRRK2

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-2593450-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-22 — — EP claimed
WO-2012007926-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-01-19 — — WO claimed
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