SCHEMBL9952172

SCHEMBL9952172

COc1c(CCCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cncc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.39
PDE5A O76074 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
PRMT1 Q99873 1/20 0.30

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
SCHEMBL9952823 0.95 PIK3CD (0.42) PIK3CDUSP2LMNACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL9952359 0.93 PIK3CD (0.37) PIK3CD
SCHEMBL9952294 0.87 PIK3CD (0.54) PIK3CD
SCHEMBL9960475 0.86 PIK3CD (0.43) PIK3CDUSP2LMNACYP1A2CYP3A4
SCHEMBL9953808 0.86 PIK3CD (0.38) PIK3CDPDE5AUSP2LMNACYP1A2
SCHEMBL9952881 0.83 PIK3CD (0.42) PIK3CDUSP2LMNACYP1A2CYP3A4
SCHEMBL9953050 0.81 PIK3CD (0.39) PIK3CDPDE5AUSP2LMNACYP1A2
SCHEMBL9953815 0.81 PIK3CD (0.35) PIK3CDLMNACYP1A2CYP3A4CYP2D6
SCHEMBL9952453 0.80 PIK3CD (0.42) PIK3CDPDE5AUSP2LMNACYP1A2
SCHEMBL9952100 0.79 PIK3CD (0.42) PIK3CDPDE5AUSP2LMNACYP1A2

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
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed