SCHEMBL5066104

SCHEMBL5066104

CCCCn1nc(-c2cccc(C)c2)c2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.61
▸ ABL1 P00519 4/20 0.61
▸ PIK3CD O00329 7/20 0.55
▸ PRKDC P78527 7/20 0.55
▸ KDR P35968 5/20 0.53
▸ PDGFRB P09619 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ PIK3CA P42336 6/20 0.53
▸ PIK3CB P42338 6/20 0.53
▸ PIK3CG P48736 6/20 0.53
▸ YES1 P07947 1/20 0.52
▸ FGR P09769 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ EGFR P00533 3/20 0.51
▸ HCK P08631 3/20 0.51
▸ MTOR P42345 3/20 0.51

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
SCHEMBL14086588 0.88 PIK3CD (0.62) SRCABL1PIK3CDPRKDCKDR
SCHEMBL14086355 0.87 SRC (0.66) SRCABL1PIK3CDPRKDCPIK3CA
SCHEMBL2361494 0.86 KDM4E (0.68) SRCABL1PIK3CDPRKDCKDR
SCHEMBL129820 0.82 PIK3CD (0.76) SRCABL1PIK3CDPRKDCKDR
SCHEMBL3792927 0.80 CYP1A2 (0.69) SRCABL1PIK3CDPRKDCKDR
SCHEMBL21308414 0.80 SRC (0.59) SRCABL1PIK3CDPRKDCKDR
SCHEMBL14086589 0.79 PIK3CD (0.76) SRCABL1PIK3CDPRKDCKDR
SCHEMBL5067784 0.79 SRC (0.50) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL15779787 0.78 RET (0.52) SRCABL1PIK3CDPRKDCKDR
SCHEMBL26165823 0.78 FGFR1 (0.74) —

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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