SCHEMBL19930634

SCHEMBL19930634

COc1ccc(-c2cn(C)c(=O)c(N)n2)cc1NSC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.47
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL16649995 0.83 BRD4 (0.67) BRD4ADORA3ADORA2AADORA1KDM4E
SCHEMBL21994131 0.82 BRD4 (0.45) BRD4ADORA3ADORA2AADORA1KDM4E
SCHEMBL19930682 0.76 BRD4 (0.53) BRD4
SCHEMBL19930676 0.74 BRD4 (0.60) BRD4KMT2A
SCHEMBL19930835 0.74 BRD4 (0.71) BRD4SMN1; SMN2
SCHEMBL19931487 0.72 BRD4 (0.73) BRD4
SCHEMBL19930751 0.70 BRD4 (0.73) BRD4
SCHEMBL19931457 0.67 BACE1 (0.47) BRD4ADORA3ADORA2AADORA1
SCHEMBL25043369 0.67 BRD4 (0.33) BRD4KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL19930655 0.66 BRD4 (0.40) BRD4ADORA3ADORA2AADORA1ALDH1A1

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-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 — — EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 — — EP disclosed
Send feedback