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Sugi Predict / Compounds / SCHEMBL17749801

SCHEMBL17749801

SCHEMBL17749801

CC=CCn1cc(-c2ncc(C(=O)N3CCOCC3)cc2OC)c2cc(C)[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 20/20 1.00
▸ CECR2 Q9BXF3 6/20 0.70
▸ BRD7 Q9NPI1 2/20 0.70
▸ BRD4 O60885 5/20 0.68
▸ TAF1 P21675 5/20 0.68

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
SCHEMBL17749800 1.00 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL17749878 0.91 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL17749877 0.91 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL17749855 0.88 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL19657245 0.84 BRD9 (0.73) BRD9CECR2BRD7BRD4TAF1
SCHEMBL24364295 0.83 BRD9 (0.83) BRD9CECR2BRD7BRD4TAF1
SCHEMBL17758479 0.82 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL17758482 0.82 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL30073344 0.81 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1
SCHEMBL17758522 0.81 BRD9 (1.00) BRD9CECR2BRD7BRD4TAF1

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 claimed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO claimed
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