SCHEMBL9953804

SCHEMBL9953804

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
PDE5A O76074 1/20 0.31
EGFR P00533 2/20 0.30
RIPK1 Q13546 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9952915 0.95 PDE5A (0.31) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9952126 0.91 PDE5A (0.33) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9952734 0.88 HTT (0.35) PDE5AEGFRMAPTTSHRHTT
SCHEMBL9952079 0.86 PDE5A (0.32) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9960517 0.85 PDE5A (0.31) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9952416 0.85 PDE5A (0.33) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9953144 0.84 PDE5A (0.35) PDE5AMAPTTSHRHTTSMN1; SMN2
SCHEMBL9928998 0.83 PIK3CD (0.41) EGFR
Trifluoroacetic Acid SCHEMBL9960946 0.83 PDE11A (0.32)
SCHEMBL9960535 0.83 PDE5A (0.32) PDE5AMAPTTSHRHTTSMN1; 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