SCHEMBL9952974

SCHEMBL9952974

COc1c(C(C)Nc2ncnc3[nH]cnc23)cc(Cl)c(F)c1C1CNC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.45
KCNH2 Q12809 1/20 0.34
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32

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
Hydrochloric Acid SCHEMBL9929283 0.99 PIK3CD (0.44) PIK3CDKCNH2AXLMERTKEPHA2
SCHEMBL9928861 0.91 PIK3CD (0.46) PIK3CD
SCHEMBL9929375 0.90 PIK3CD (0.56) PIK3CDAXLMERTK
SCHEMBL9929414 0.89 PIK3CD (0.45) PIK3CDKCNH2EPHA2KDREPHB4
Trifluoroacetic Acid SCHEMBL9929120 0.84 PIK3CD (0.51) PIK3CDAXLMERTK
Trifluoroacetic Acid SCHEMBL9928835 0.82 PIK3CD (0.42) PIK3CDKCNH2EPHA2KDREPHB4
SCHEMBL9928691 0.82 PIK3CD (0.47) PIK3CDKCNH2AXLMERTK
SCHEMBL9928903 0.81 PIK3CD (0.59) PIK3CDAXLMERTKEPHA2KDR
SCHEMBL9928915 0.81 PIK3CD (0.47) PIK3CDAXLMERTK
SCHEMBL9928981 0.80 PIK3CD (0.44) PIK3CDAXLMERTKEPHA2KDR

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