SCHEMBL21320191

SCHEMBL21320191

Cc1ccc(C2=N[C@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.87
BRDT Q58F21 6/20 0.87
BRD2 P25440 3/20 0.87
BRD3 Q15059 3/20 0.87
CREBBP Q92793 2/20 0.87
HDAC3 O15379 1/20 0.87
JAK2 O60674 1/20 0.87
BRD1 O95696 1/20 0.87
CCL2 P13500 1/20 0.87
HDAC4 P56524 1/20 0.87
EP300 Q09472 1/20 0.87
HDAC1 Q13547 1/20 0.87
DNER Q8NFT8 1/20 0.87
HDAC7 Q8WUI4 1/20 0.87
HDAC2 Q92769 1/20 0.87
HDAC10 Q969S8 1/20 0.87
HDAC11 Q96DB2 1/20 0.87
HDAC8 Q9BY41 1/20 0.87
HDAC6 Q9UBN7 1/20 0.87
HDAC9 Q9UKV0 1/20 0.87

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
SCHEMBL15984904 1.00 BRD4 (0.87) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL881473 0.93 BRD4 (1.00) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL22973254 0.93 BRD4 (0.87) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL18551522 0.93 BRD4 (0.84) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL23660571 0.93 BRD4 (0.84) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL23660596 0.93 BRD4 (0.84) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL881208 0.93 BRD4 (1.00) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL23660513 0.93 BRD4 (0.84) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL21349525 0.93 BRD4 (0.84) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL18551517 0.93 BRD4 (0.84) BRD4BRDTBRD2BRD3CREBBP

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-2569434-B1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS DANA FARBER CANCER INST INC (US) 2019-09-04 EP disclosed