SCHEMBL25590686

SCHEMBL25590686

Cc1ccc(-c2ncn(C)n2)nc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.46
▸ NR3C1 P04150 5/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ CD38 P28907 1/20 0.43
▸ TEK Q02763 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AHR P35869 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
SCHEMBL25590770 0.80 MAPT (0.43) TRPV1NR3C1MAPTMEN1KMT2A
SCHEMBL25590396 0.79 CSF1R (0.53) TRPV1NR3C1MAPTKITNPC1
SCHEMBL25592034 0.79 NR3C1 (0.48) TRPV1NR3C1MAPTMEN1KMT2A
SCHEMBL25593238 0.78 ABL1 (0.47) TRPV1MAPTMEN1KMT2AKDR
SCHEMBL25591484 0.77 MAPT (0.46) TRPV1NR3C1MAPTMEN1KMT2A
SCHEMBL25590680 0.77 MAPT (0.41) TRPV1NR3C1MAPTMEN1KMT2A
SCHEMBL25591776 0.74 ABL1 (0.50) TRPV1MAPTKITNPC1RAB9A
SCHEMBL25210996 0.74 AHR (0.56) TRPV1NR3C1MAPTMEN1KMT2A
SCHEMBL25590404 0.74 AHR (0.45) TRPV1NR3C1MAPTMEN1KMT2A
SCHEMBL25590564 0.73 ROCK1 (0.48) TRPV1MAPTKITTEKNPC1

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-2023088435-A1 PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR 成都奥睿药业有限公司 2023-05-25 — — WO disclosed
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