SCHEMBL21028899

SCHEMBL21028899

CCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.60
USP2 O75604 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PIK3R1 P27986 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
BLM P54132 1/20 0.54
HCAR1 Q9BXC0 1/20 0.53
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
RAB9A P51151 2/20 0.49
PIK3CG P48736 1/20 0.47
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL20404396 0.91 PIK3CD (0.57) PIK3CDUSP2PIK3R1SMN1; SMN2LMNA
SCHEMBL15817691 0.88 PIK3CD (0.77) PIK3CDUSP2MEN1KMT2ACYP1A2
SCHEMBL16597165 0.87 PIK3CD (0.79) PIK3CDUSP2PIK3R1LMNAPIK3CG
SCHEMBL15864426 0.86 PIK3CD (0.67) PIK3CDUSP2MEN1KMT2ACYP1A2
SCHEMBL20081364 0.86 USP2 (0.56) PIK3CDUSP2MEN1KMT2ACYP1A2
SCHEMBL16597160 0.86 USP2 (0.56) PIK3CDUSP2MEN1KMT2ACYP1A2
SCHEMBL16597180 0.86 USP2 (0.56) PIK3CDUSP2MEN1KMT2ACYP1A2
SCHEMBL358165 0.85 PIK3CD (0.62) PIK3CDMEN1KMT2APIK3R1SMN1; SMN2
SCHEMBL15818242 0.84 PIK3CD (0.55) PIK3CDMEN1KMT2APIK3R1SMN1; SMN2
SCHEMBL17235509 0.84 USP2 (0.63) USP2MEN1KMT2ACYP1A2CYP3A4

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-3046563-B1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS CALITOR SCIENCES LLC (US) 2019-05-29 EP disclosed