SCHEMBL9952983

SCHEMBL9952983

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(Cl)c1C1CN(CC2CCOC2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
PDE5A O76074 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
SCHEMBL9952416 0.92 PDE5A (0.33) PDE5A
SCHEMBL9952126 0.84 PDE5A (0.33) PDE5A
SCHEMBL9952734 0.84 HTT (0.35) PDE5A
SCHEMBL9929105 0.84 PIK3CD (0.42) TTKCCNT1CDK9
SCHEMBL9952079 0.83 PDE5A (0.32) PDE5A
SCHEMBL9952915 0.82 PDE5A (0.31) PDE5A
SCHEMBL9953144 0.81 PDE5A (0.35) PDE5A
SCHEMBL9960535 0.81 PDE5A (0.32) CCNT1CDK9PDE5A
SCHEMBL9953804 0.80 ALDH1A1 (0.31) PDE5A
SCHEMBL9960517 0.79 PDE5A (0.31) PDE5A

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