SCHEMBL20384604

SCHEMBL20384604

CC1CCC(Nc2ccc(SC(C)C)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.61

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
SCHEMBL20384606 0.92 BRD4 (0.68) BRD4
SCHEMBL20384306 0.87 BRD4 (0.66) BRD4
SCHEMBL20384494 0.86 BRD4 (0.64) BRD4
SCHEMBL20384195 0.86 BRD4 (0.59) BRD4
SCHEMBL20384474 0.84 BRD4 (0.66) BRD4
SCHEMBL20384479 0.83 BRD4 (0.70) BRD4
SCHEMBL20384336 0.82 BRD4 (0.73) BRD4
SCHEMBL20384215 0.82 BRD4 (0.73) BRD4
SCHEMBL20384190 0.82 BRD4 (0.73) BRD4
SCHEMBL20384602 0.81 BRD4 (0.70) 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