SCHEMBL22167367

SCHEMBL22167367

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4=CCC(C(F)(F)F)CC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.32
▸ PRCP P42785 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ KIFC1 Q9BW19 2/20 0.30

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
SCHEMBL17532303 1.00 PYGL (0.32) PYGLPRCPITGB1ITGA4ITGB7
SCHEMBL17468603 0.94 PYGL (0.33) PYGLPRCPCDK9NPC1
SCHEMBL17532306 0.90 PYGL (0.33) PYGLPRCPNPC1
SCHEMBL17532336 0.89 PRCP (0.32) PYGLPRCPITGB1ITGA4ITGB7
SCHEMBL20026803 0.89 PRCP (0.32) PYGLPRCPITGB1ITGA4ITGB7
SCHEMBL17532281 0.89 PYGL (0.35) PYGLPRCPCDK9NPC1
SCHEMBL17532305 0.89 PYGL (0.32) PYGLPRCP
SCHEMBL17532309 0.88 F2 (0.32) PYGLPRCPITGB1
SCHEMBL22167241 0.88 PYGL (0.32) PYGLPRCP
SCHEMBL17492920 0.88 PYGL (0.32) PYGLPRCP

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
Send feedback