SCHEMBL9952369

SCHEMBL9952369

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
PIK3CD O00329 2/20 0.39
MAPK14 Q16539 4/20 0.38
BTK Q06187 5/20 0.35
CYP2C9 P11712 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TTK P33981 2/20 0.34
USP7 Q93009 1/20 0.34
WDR5 P61964 1/20 0.34
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21986431 0.89 BTK (0.40) MAPK14BTKNPC1TTKKMT2A
SCHEMBL9952091 0.86 CNR1 (0.38) PIK3CDTTK
SCHEMBL9952453 0.85 PIK3CD (0.42) PIK3CDCYP2C9LMNAKMT2ASMN1; SMN2
SCHEMBL9952100 0.85 PIK3CD (0.42) PIK3CDCYP2C9LMNAKMT2AHPGD
SCHEMBL9929099 0.83 PIK3CD (0.54) FYNPIK3CDMAPK14BTKLRRK2
SCHEMBL9952628 0.83 PIK3CD (0.38) PIK3CDCYP2C9LMNAKMT2AHPGD
SCHEMBL9952812 0.82 PIK3CD (0.40) PIK3CDCYP2C9LMNAKMT2ASMN1; SMN2
SCHEMBL9952102 0.81 PIK3CD (0.37) PIK3CDCYP2C9LMNASMN1; SMN2
SCHEMBL9953812 0.81 PIK3CD (0.37) PIK3CDCYP2C9LMNAKMT2AHPGD
SCHEMBL21986432 0.81 PIK3CD (0.37) PIK3CDKMT2ASMN1; SMN2

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 4 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 claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
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