SCHEMBL24363727

SCHEMBL24363727

C=CCCn1cc(-c2cc(C(=O)N3CCOCC3)c3ncn(CC)c3c2)c(C)c(NC)c1=O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 20/20 0.70
▸ TAF1 P21675 17/20 0.70
▸ BRD9 Q9H8M2 17/20 0.70
▸ BRD4 O60885 16/20 0.70
▸ TAF11 Q15544 1/20 0.46
▸ TAF1L Q8IZX4 1/20 0.46

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
SCHEMBL17758434 0.82 TAF1 (1.00) CECR2TAF1BRD9BRD4TAF11
SCHEMBL17749793 0.75 TAF1 (1.00) CECR2TAF1BRD9BRD4TAF11
SCHEMBL30373817 0.73 TAF1 (0.81) CECR2TAF1BRD9BRD4TAF11
SCHEMBL19657115 0.72 BRD4 (0.50) CECR2TAF1BRD9BRD4
SCHEMBL30073356 0.70 CECR2 (0.55) CECR2TAF1BRD9BRD4TAF11
SCHEMBL17758548 0.70 CECR2 (0.55) CECR2TAF1BRD9BRD4TAF11
SCHEMBL17749882 0.68 TAF1 (1.00) CECR2TAF1BRD9BRD4TAF11
SCHEMBL19651852 0.67 BRD4 (0.48) CECR2TAF1BRD9BRD4
SCHEMBL19657251 0.67 CECR2 (0.73) CECR2TAF1BRD9BRD4
SCHEMBL24363697 0.66 BRD4 (0.47) CECR2TAF1BRD9BRD4

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
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 — — EP disclosed
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