SCHEMBL21065788

SCHEMBL21065788

Cn1c([Zn])nc2cc(C(F)(F)F)ncc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ QRFPR Q96P65 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CHKA P35790 1/20 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
SCHEMBL18136192 0.82 KDM4E (0.45) HTT
SCHEMBL21230341 0.81 CA2 (0.37) QRFPRTRPV4CA2CHKA
SCHEMBL19974425 0.81 QRFPR (0.33) HTTQRFPRTRPV4CA2CHKA
SCHEMBL19974053 0.81 QRFPR (0.33) QRFPRTRPV4CA2CHKA
SCHEMBL29538895 0.81 QRFPR (0.33) HTTQRFPRTRPV4CA2CHKA
SCHEMBL25888568 0.79 CNR2 (0.35) QRFPRTRPV4
SCHEMBL21698353 0.78 MCHR1 (0.34) QRFPR
SCHEMBL20100075 0.78 S1PR1 (0.36) QRFPR
SCHEMBL22436278 0.77 — —
SCHEMBL22030440 0.76 HCRTR2 (0.32) QRFPR

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-3500568-A1 METHOD FOR PRODUCING 2-(3,6-DIHALOPYRIDIN-2-YL)-3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS BY REACTION OF THE 3H-IMIDAZOL[4,5-C]PYRIDINE DERIVATIVE WITH AN ORGANOMETALLIC ZINC-AMINE BASE Bayer CropScience Aktiengesellschaft (DE) 2019-06-26 — — EP disclosed
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