SCHEMBL20384274

SCHEMBL20384274

CCS(=N)(=O)c1ccc(F)c(-c2cn(C)c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL15069384 0.90 BRD4 (0.54) BRD4
SCHEMBL20384519 0.90 BRD4 (0.56) BRD4
SCHEMBL15069411 0.88 BRD4 (0.55) BRD4
SCHEMBL31395498 0.88 BRD4 (0.55) BRD4
SCHEMBL20384392 0.88 BRD4 (0.54) BRD4
SCHEMBL20384194 0.86 BRD4 (0.54) BRD4
SCHEMBL15069180 0.84 BRD4 (0.49) BRD4
SCHEMBL15069163 0.83 BRD4 (0.52) BRD4HTR6
SCHEMBL30324901 0.83 BRD4 (0.52) BRD4HTR6
SCHEMBL31395353 0.80 BRD4 (0.55) BRD4

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-2018130174-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏豪森药业集团有限公司 2018-07-19 — — WO disclosed
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