SCHEMBL17755606

SCHEMBL17755606

CN1CCC(c2ccc(-c3c[nH]c(=O)c4[nH]ccc34)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 5/20 0.69
▸ TAF1 P21675 3/20 0.53
▸ IL2 P60568 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ PRKAB2 O43741 3/20 0.43
▸ PRKAG1 P54619 3/20 0.43
▸ PRKAA2 P54646 3/20 0.43
▸ PRKAA1 Q13131 3/20 0.43
▸ PRKAG3 Q9UGI9 3/20 0.43
▸ PRKAG2 Q9UGJ0 3/20 0.43
▸ PRKAB1 Q9Y478 3/20 0.43
▸ TNKS O95271 3/20 0.43
▸ PARP1 P09874 3/20 0.43
▸ TNKS2 Q9H2K2 3/20 0.43
▸ BRD4 O60885 3/20 0.42
▸ HTR1F P30939 1/20 0.41
▸ ZAP70 P43403 1/20 0.39
▸ CECR2 Q9BXF3 1/20 0.38

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
SCHEMBL17748938 0.82 BRD9 (1.00) BRD9TAF1BRD4CECR2
SCHEMBL29874888 0.72 BRD9 (0.52) BRD9TAF1IL2MAP4K1TNKS
SCHEMBL22872849 0.71 PARP1 (0.65) PRKAA1PARP1BRD4CECR2
SCHEMBL22872872 0.71 BRD4 (0.52) BRD9PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16474981 0.70 AURKA (0.52) BRD4ZAP70
SCHEMBL17756336 0.70 TAF1 (0.52) BRD9TAF1PARP1BRD4
SCHEMBL17748933 0.69 TAF1 (1.00) BRD9TAF1BRD4CECR2
SCHEMBL17756333 0.68 BRD9 (0.51) BRD9TAF1PARP1BRD4CECR2
SCHEMBL29204307 0.68 MAP4K1 (0.64) BRD9IL2MAP4K1
SCHEMBL31590691 0.68 AURKA (0.37) BRD9PARP1BRD4CECR2

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-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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