SCHEMBL9952491

SCHEMBL9952491

COc1c(CCNc2nc3cncnc3[nH]2)cc(Cl)c(C)c1C1CN(C(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.36

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 SCHEMBL9952097 0.74 PIK3CD (0.38) PIK3CD
SCHEMBL9953097 0.71 PIK3CD (0.37) PIK3CD
SCHEMBL30340329 0.66 PIK3CD (0.63) PIK3CD
SCHEMBL9952257 0.66 PIK3CD (0.33) PIK3CD
SCHEMBL29836162 0.66 PIK3CD (0.47) PIK3CD
Hydrochloric Acid SCHEMBL9929198 0.65 PIK3CD (0.46) PIK3CD
Trifluoroacetic Acid SCHEMBL9960928 0.65 WHR1 (0.31)
SCHEMBL9952487 0.64 PIK3CD (0.43) PIK3CD
SCHEMBL9953231 0.64 PIK3CD (0.36) PIK3CD
Trifluoroacetic Acid SCHEMBL19639730 0.64 PIK3CD (0.48) PIK3CD

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