SCHEMBL17749690

SCHEMBL17749690

CCC=CCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 1.00
▸ CECR2 Q9BXF3 9/20 0.85
▸ BRD9 Q9H8M2 7/20 0.85
▸ TAF1 P21675 5/20 0.85
▸ TRIM24 O15164 1/20 0.70
▸ SMARCA2 P51531 1/20 0.70
▸ SMARCA4 P51532 1/20 0.70
▸ BRPF1 P55201 1/20 0.70
▸ EP300 Q09472 1/20 0.70
▸ PBRM1 Q86U86 1/20 0.70
▸ CREBBP Q92793 1/20 0.70
▸ BAZ2B Q9UIF8 1/20 0.70
▸ BAZ2A Q9UIF9 1/20 0.70

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
SCHEMBL17749687 1.00 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17749670 0.92 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL30073311 0.92 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17749838 0.92 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17749833 0.88 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL29482212 0.88 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17748956 0.88 CECR2 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17749708 0.87 CECR2 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17748869 0.86 BRD9 (1.00) BRD4CECR2BRD9TAF1TRIM24
SCHEMBL17749840 0.84 BRD4 (1.00) BRD4CECR2BRD9TAF1TRIM24

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
EP-3218375-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 — — EP disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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