SCHEMBL9952079

SCHEMBL9952079

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(Cl)c1C1CN(CC(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ERBB2 P04626 1/20 0.31
FLT1 P17948 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
PIK3CD O00329 4/20 0.30
AXL P30530 2/20 0.30
MERTK Q12866 2/20 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
Trifluoroacetic Acid SCHEMBL9960946 0.93 PDE11A (0.32)
SCHEMBL9952126 0.89 PDE5A (0.33) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9952734 0.88 HTT (0.35) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9952416 0.88 PDE5A (0.33) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9952915 0.87 PDE5A (0.31) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9960535 0.87 PDE5A (0.32) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9960517 0.86 PDE5A (0.31) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9953804 0.86 ALDH1A1 (0.31) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9953144 0.85 PDE5A (0.35) PDE5AMAPTTSHRHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL9960928 0.83 WHR1 (0.31) FLT1EPHA2KDREPHB4

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