SCHEMBL4779882

SCHEMBL4779882

OCC(Nc1ccnc(Cl)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 10/20 0.45
▸ PDE2A O00408 4/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35

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
SCHEMBL4727785 0.85 CCNT1 (0.46) TRPV3TRPV1MDM2
SCHEMBL27738470 0.85 NTRK1 (0.48) TRPV1NTRK1CCNCCDK8
SCHEMBL4729310 0.83 CCNC (0.37) NTRK1CCNCCDK8
SCHEMBL4727670 0.78 AURKA (0.38) TRPV3TRPV1
SCHEMBL4779880 0.77 FAAH (0.49) TRPV1
SCHEMBL4780128 0.76 CCNT1 (0.43) TRPV1AKT1NTRK1CCNCCDK8
SCHEMBL4728071 0.73 USP1 (0.46) CCNCCDK8
SCHEMBL4725583 0.73 CCNT1 (0.41) TRPV1
SCHEMBL8299228 0.72 CA12 (0.43) TRPV3PDE2AP2RX3
SCHEMBL4729366 0.72 SLC10A1 (0.36) CCNCCDK8

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-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 — — WO disclosed
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