SCHEMBL28573307

SCHEMBL28573307

Cc1c(C(N)=O)ccc(-c2cn(C)c(=O)c3[nH]ccc23)c1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 15/20 0.58
▸ CECR2 Q9BXF3 3/20 0.50
▸ BRD9 Q9H8M2 2/20 0.49
▸ TAF1 P21675 2/20 0.47
▸ TRIM24 O15164 1/20 0.47
▸ SMARCA2 P51531 1/20 0.47
▸ SMARCA4 P51532 1/20 0.47
▸ BRPF1 P55201 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ PBRM1 Q86U86 1/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.47
▸ BAZ2A Q9UIF9 1/20 0.47
▸ BTK Q06187 1/20 0.47

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
SCHEMBL17748879 0.87 BRD4 (0.57) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL31590544 0.76 BRD4 (0.65) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL28588232 0.75 BRD9 (0.51) BRD4CECR2BRD9TAF1
SCHEMBL17748871 0.73 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL28392060 0.73 BRD4 (0.58) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL28937472 0.73 BRD4 (0.53) BRD4CECR2BRD9TAF1
SCHEMBL28578291 0.71 BRD4 (0.64) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL24866050 0.71 BRD4 (0.76) BRD4CECR2BRD9TAF1
SCHEMBL28963592 0.71 CECR2 (0.59) BRD4CECR2BRD9TAF1
SCHEMBL28937471 0.71 CECR2 (0.54) BRD4CECR2BRD9TAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 — — CN claimed
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 — — CN disclosed
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