SCHEMBL9954036

SCHEMBL9954036

COc1c(CCNc2ncnc3c2ncn3OC(=O)C(F)(F)F)cc(Cl)c(C)c1-c1cscn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
TMIGD3 P0DMS9 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL9929552 0.83 PIK3CD (0.41)
Trifluoroacetic Acid SCHEMBL9954032 0.81 PTGDR (0.32)
SCHEMBL9960866 0.72 LMNA (0.36)
SCHEMBL2051000 0.67 PIK3CD (0.33) ADORA2AADORA2BTMIGD3ADORA1
SCHEMBL9960521 0.66
SCHEMBL9928703 0.64 PIK3CD (0.49)
SCHEMBL2052497 0.64 TMIGD3 (0.33) ADORA2AADORA2BTMIGD3ADORA1
Trifluoroacetic Acid SCHEMBL9953198 0.64 PIK3CD (0.38)
Trifluoroacetic Acid SCHEMBL9929550 0.64 PIK3CD (0.45)
SCHEMBL9952889 0.64 CYP1A2 (0.45) ADORA2AADORA2B

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