SCHEMBL5067784

SCHEMBL5067784

CCCCn1nc(-c2ccccc2C)c2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.50
▸ PIK3CD O00329 4/20 0.50
▸ PIK3CG P48736 4/20 0.49
▸ RET P07949 2/20 0.48
▸ PRKDC P78527 3/20 0.48
▸ PIK3C2B O00750 1/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ FYN P06241 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ YES1 P07947 1/20 0.46
▸ FGR P09769 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PRKD3 O94806 1/20 0.44

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
SCHEMBL14086355 0.84 SRC (0.66) SRCPIK3CDPIK3CGPRKDCPIK3CA
SCHEMBL2361494 0.81 KDM4E (0.68) SRCPIK3CDPIK3CGRETPRKDC
SCHEMBL15779787 0.80 RET (0.52) SRCPIK3CDPIK3CGRETPRKDC
SCHEMBL5066104 0.79 SRC (0.61) SRCPIK3CDPIK3CGRETPRKDC
SCHEMBL3792927 0.77 CYP1A2 (0.69) SRCPIK3CDPIK3CGRETPRKDC
SCHEMBL21308414 0.77 SRC (0.59) SRCPIK3CDPIK3CGRETPRKDC
SCHEMBL14086588 0.76 PIK3CD (0.62) SRCPIK3CDPIK3CGPRKDCPIK3C2B
SCHEMBL3611430 0.75 SRC (0.72) SRCPIK3CDPIK3CGRETPRKDC
SCHEMBL21851263 0.74 ADORA2A (0.51) SRCRET
SCHEMBL19623303 0.74 ADORA2A (0.48) SRCPIK3CDPIK3CGRETPRKDC

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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