SCHEMBL20020809

SCHEMBL20020809

Cc1cc2nc(-c3cn(C)cn3)ccc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
CYP3A4 P08684 2/20 0.43

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
SCHEMBL252381 1.00 PSIP1 (0.44) PSIP1CYP3A4
SCHEMBL15182709 0.93 PSIP1 (0.37) PSIP1CYP3A4
SCHEMBL243700 0.88 PSIP1 (0.50) PSIP1CYP3A4
SCHEMBL10271587 0.88 CYP3A4 (0.44) PSIP1CYP3A4
SCHEMBL3304151 0.86 PSIP1 (0.48) PSIP1CYP3A4
SCHEMBL247215 0.85 PSIP1 (0.45) PSIP1CYP3A4
SCHEMBL251441 0.85 PSIP1 (0.43) PSIP1CYP3A4
SCHEMBL245431 0.84 PSIP1 (0.44) PSIP1CYP3A4
SCHEMBL20021158 0.84 PSIP1 (0.47) PSIP1CYP3A4
SCHEMBL246425 0.84 PSIP1 (0.47) PSIP1CYP3A4

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
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed