SCHEMBL20725699

SCHEMBL20725699

Cc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1S

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.63
PIK3CD O00329 14/20 0.63
MTOR P42345 5/20 0.53
PIK3R1 P27986 4/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
JAK3 P52333 1/20 0.53
MAP3K12 Q12852 1/20 0.50
PIK3C2B O00750 1/20 0.47

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
SCHEMBL16639089 0.87 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3R1PIK3CB
SCHEMBL16639087 0.79 PIK3CD (0.77) PIK3CAPIK3CD
SCHEMBL16639103 0.78 PIK3CA (0.64) PIK3CAPIK3CDMTORPIK3R1PIK3CB
SCHEMBL10327870 0.78 PIK3CA (0.68) PIK3CAPIK3CDMTORPIK3R1PIK3CB
SCHEMBL16639114 0.78 PIK3CD (1.00) PIK3CAPIK3CD
SCHEMBL17053390 0.76 PIK3CD (0.52) PIK3CAPIK3CDMTORPIK3R1PIK3CB
SCHEMBL16639140 0.75 PIK3CD (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20725682 0.75 PIK3CD (0.88) PIK3CAPIK3CD
SCHEMBL20725691 0.74 PIK3CD (0.89) PIK3CAPIK3CD
SCHEMBL16639083 0.74 PIK3CD (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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
EP-2860181-B1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2019-02-13 EP disclosed