SCHEMBL19309232

SCHEMBL19309232

CC(C)c1nc(-c2cccc(S(N)(=O)=O)c2)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.48
PIK3CA P42336 5/20 0.48
PIK3CG P48736 5/20 0.48
PIK3CB P42338 4/20 0.48
PRKDC P78527 2/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
HCK P08631 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
MTOR P42345 1/20 0.48
EPHB4 P54760 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
TYRO3 Q06418 2/20 0.48
ATR Q13535 5/20 0.47
CDK8 P49336 1/20 0.46
ATM Q13315 2/20 0.46
SYK P43405 1/20 0.43
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41

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
SCHEMBL19413037 0.86 KDM1A (0.52) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL15308592 0.83 TYRO3 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL19309166 0.83 NPSR1 (0.53) PIK3CDPIK3CAPIK3CGPIK3CBGSK3B
SCHEMBL16628998 0.80 ATR (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL17718279 0.80 TYRO3 (0.52) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL19309168 0.79 TYRO3 (0.67) PIK3CDPIK3CAPIK3CGPRKDCABL1
SCHEMBL21074248 0.76 CDK8 (0.53) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL29709318 0.76 CDK8 (0.53) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL19309167 0.76 ATR (0.54) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL28196773 0.74 NPC1 (0.61) CDK8CA1CA2CA9CA12

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-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed