SCHEMBL3713632

SCHEMBL3713632

COc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.49
PIK3CA P42336 10/20 0.49
ABL1 P00519 2/20 0.40
PIK3CD O00329 1/20 0.36
DYRK1A Q13627 1/20 0.35

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
SCHEMBL13188923 0.93 PIK3CG (0.49) PIK3CGPIK3CAABL1DYRK1A
SCHEMBL13189027 0.93 PIK3CG (0.50) PIK3CGPIK3CAABL1DYRK1A
SCHEMBL13188602 0.89 DYRK1A (0.38) PIK3CGPIK3CAABL1PIK3CDDYRK1A
SCHEMBL13188603 0.88 PIK3CG (0.36) PIK3CGPIK3CAABL1PIK3CDDYRK1A
SCHEMBL13188683 0.88 PIK3CG (0.36) PIK3CGPIK3CAABL1PIK3CDDYRK1A
SCHEMBL13188327 0.87 PIK3CG (0.65) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188159 0.87 ABL1 (0.39) PIK3CGPIK3CAABL1DYRK1A
SCHEMBL13188581 0.84 PIK3CG (0.44) PIK3CGPIK3CAABL1
SCHEMBL13188577 0.82 DYRK1A (0.39) PIK3CGPIK3CAABL1PIK3CDDYRK1A
SCHEMBL13188736 0.81 PIK3CG (0.37) PIK3CGPIK3CAABL1PIK3CDDYRK1A

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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed