SCHEMBL30822729

SCHEMBL30822729

Cc1cc(-n2c([C@H](C)N)cc3cccc(Cl)c3c2=O)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.40
PIK3CG P48736 17/20 0.40
PIK3R1 P27986 7/20 0.40
PIK3CB P42338 2/20 0.40
ABCB11 O95342 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
PIK3CA P42336 1/20 0.40
PDE3A Q14432 1/20 0.40
PIK3R2 O00459 8/20 0.39

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
SCHEMBL29164550 1.00 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164551 1.00 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164574 0.89 CYP1A2 (0.38) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL30822689 0.89 CYP1A2 (0.38) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164573 0.89 CYP1A2 (0.38) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164896 0.88 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL30822727 0.88 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164895 0.88 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164675 0.87 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL29164734 0.87 PIK3CD (0.37) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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
CN-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed