SCHEMBL16417375

SCHEMBL16417375

Cc1nncnc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.62
PIK3CG P48736 20/20 0.62
PIK3R2 O00459 11/20 0.62
PIK3R1 P27986 6/20 0.61
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
ABCB11 O95342 1/20 0.51
TBXA2R P21731 1/20 0.51
HTR2A P28223 1/20 0.51
PDE3A Q14432 1/20 0.51

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
SCHEMBL15306855 0.90 PIK3CD (0.68) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16417342 0.88 PIK3CD (0.66) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16417366 0.87 PIK3CD (0.68) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16417398 0.85 PIK3CD (0.67) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16417374 0.85 PIK3CD (0.66) PIK3CDPIK3CGPIK3R2PIK3R1
SCHEMBL16417357 0.84 PIK3CD (0.61) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16417363 0.84 PIK3CD (0.61) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16417346 0.84 PIK3CD (0.70) PIK3CDPIK3CGPIK3R2PIK3R1
SCHEMBL16417341 0.83 PIK3CD (0.67) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL15306767 0.83 PIK3CD (0.67) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA

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
US-9255108-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed