SCHEMBL4741775

SCHEMBL4741775

COC(=O)c1cncc(OC2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.46
USP30 Q70CQ3 1/20 0.45
PIK3CA P42336 3/20 0.44
GPR119 Q8TDV5 3/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
CHEK2 O96017 1/20 0.43
PRMT5 O14744 1/20 0.43
PDE4B Q07343 1/20 0.42

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
SCHEMBL4741773 1.00 PIK3CD (0.46) PIK3CDUSP30PIK3CAGPR119PIK3CB
SCHEMBL4742866 1.00 PIK3CD (0.46) PIK3CDUSP30PIK3CAGPR119PIK3CB
SCHEMBL4745261 0.94 CHEK2 (0.49) PIK3CDUSP30CHEK2PDE4B
SCHEMBL4745263 0.94 CHEK2 (0.49) PIK3CDUSP30CHEK2PDE4B
SCHEMBL14127666 0.94 GPR119 (0.51) GPR119CHEK2PRMT5PDE4B
SCHEMBL29686325 0.87 PIK3CD (0.49) PIK3CDUSP30PIK3CAGPR119PIK3CB
SCHEMBL7466564 0.84 PIK3CD (0.49) PIK3CDUSP30PIK3CAGPR119PIK3CB
SCHEMBL5548078 0.84 GPR119 (0.55) PIK3CDUSP30PIK3CAGPR119PIK3CB
SCHEMBL28716248 0.84 GPR119 (0.55) PIK3CDUSP30PIK3CAGPR119PIK3CB
SCHEMBL5548878 0.84 GPR119 (0.55) PIK3CDUSP30PIK3CAGPR119PIK3CB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO disclosed