SCHEMBL10338

SCHEMBL10338

Cn1nc(NC(=O)NCCc2cn(CC(F)F)cn2)cc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.55
PIK3CA P42336 7/20 0.55
PRKDC P78527 2/20 0.55
CYP2C9 P11712 1/20 0.55
KCNH2 Q12809 1/20 0.55
NTRK1 P04629 1/20 0.41
PIK3CD O00329 6/20 0.41
JAK2 O60674 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL12710082 0.84 PIK3CG (0.66) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL10499 0.74 PIK3CG (0.44) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL10447 0.74 PIK3CG (0.45) PIK3CGPIK3CAPIK3CD
SCHEMBL1702304 0.71 PIK3CG (1.00) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL10361 0.71 PIK3CG (0.49) PIK3CGPIK3CACYP2C9PIK3CD
SCHEMBL1303665 0.71 MAP3K5 (0.52) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL10369 0.71 CYP1A2 (0.56) PIK3CGPIK3CACYP2C9
SCHEMBL12991181 0.70 PIK3CG (0.65) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL12710135 0.69 PIK3CG (0.49) PIK3CGPIK3CAPRKDCCYP2C9KCNH2
SCHEMBL13256666 0.69 PIK3CG (0.49) PIK3CGPIK3CAPRKDCCYP2C9KCNH2

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
WO-2011041634-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 WO disclosed