SCHEMBL5140418

SCHEMBL5140418

CC(C)n1nc(-c2ccc3c(N)n[nH]c3c2)c2c([AsH2])ncnc21

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.82
▸ ABL1 P00519 18/20 0.82
▸ PIK3CD O00329 16/20 0.82
▸ PIK3CA P42336 16/20 0.82
▸ PIK3CG P48736 16/20 0.82
▸ PRKDC P78527 16/20 0.82
▸ KDR P35968 16/20 0.82
▸ EGFR P00533 15/20 0.82
▸ HCK P08631 15/20 0.82
▸ MTOR P42345 15/20 0.82
▸ EPHB4 P54760 15/20 0.82
▸ PIK3CB P42338 15/20 0.82
▸ PI4KB Q9UBF8 6/20 0.56
▸ RET P07949 1/20 0.52

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
SCHEMBL3610512 0.90 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL24907281 0.72 KDR (0.73) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2320180 0.72 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL12436141 0.71 SRC (0.72) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL129811 0.70 PIK3CD (0.63) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL27753701 0.70 SRC (0.67) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL14574574 0.70 SRC (0.80) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL2315798 0.70 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL7901661 0.70 SRC (0.66) SRCABL1PIK3CDPIK3CAPIK3CG
SCHEMBL28455902 0.70 SRC (0.76) SRCABL1PIK3CDPIK3CAPIK3CG

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-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 — — EP disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 — — WO disclosed
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