SCHEMBL14086589

SCHEMBL14086589

CCCCn1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 0.76
▸ ABL1 P00519 18/20 0.76
▸ EGFR P00533 18/20 0.76
▸ HCK P08631 18/20 0.76
▸ SRC P12931 18/20 0.76
▸ KDR P35968 18/20 0.76
▸ PIK3CA P42336 18/20 0.76
▸ PIK3CB P42338 18/20 0.76
▸ MTOR P42345 18/20 0.76
▸ PIK3CG P48736 18/20 0.76
▸ PRKDC P78527 18/20 0.76
▸ EPHB4 P54760 17/20 0.76
▸ PI4KB Q9UBF8 14/20 0.64
▸ BTK Q06187 1/20 0.55
▸ FGFR1 P11362 1/20 0.54
▸ FGFR2 P21802 1/20 0.54
▸ FGFR4 P22455 1/20 0.54
▸ FGFR3 P22607 1/20 0.54

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
SCHEMBL18874474 0.89 PIK3CD (0.72) PIK3CDABL1EGFRHCKSRC
SCHEMBL21308414 0.84 SRC (0.59) PIK3CDABL1EGFRHCKSRC
SCHEMBL130466 0.83 PIK3CD (0.76) PIK3CDABL1EGFRHCKSRC
SCHEMBL14086588 0.83 PIK3CD (0.62) PIK3CDABL1EGFRHCKSRC
SCHEMBL3792927 0.82 CYP1A2 (0.69) PIK3CDABL1EGFRHCKSRC
SCHEMBL2361494 0.81 KDM4E (0.68) PIK3CDABL1EGFRHCKSRC
SCHEMBL16347751 0.80 PIK3CD (0.70) PIK3CDABL1EGFRHCKSRC
SCHEMBL14086355 0.79 SRC (0.66) PIK3CDABL1EGFRSRCPIK3CA
SCHEMBL5066104 0.79 SRC (0.61) PIK3CDABL1EGFRHCKSRC
SCHEMBL3607753 0.78 PIK3CD (1.00) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — US disclosed
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