SCHEMBL27363445

SCHEMBL27363445

CCc1ccc(C2=N[C@@H](CC)c3nnc(C)n3-c3sc(C)c(C)c32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.62
ADORA3 P0DMS8 1/20 0.61
TSPO P30536 1/20 0.61
DNER Q8NFT8 2/20 0.61
BRDT Q58F21 7/20 0.58
BRD2 P25440 5/20 0.58
BRD3 Q15059 5/20 0.58
CREBBP Q92793 2/20 0.58
HDAC3 O15379 1/20 0.58
JAK2 O60674 1/20 0.58
BRD1 O95696 1/20 0.58
CCL2 P13500 1/20 0.58
HDAC4 P56524 1/20 0.58
EP300 Q09472 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58

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
SCHEMBL27363397 0.91 BRD4 (0.64) BRD4ADORA3TSPODNERBRDT
SCHEMBL27363316 0.91 BRD4 (0.64) BRD4ADORA3TSPODNERBRDT
SCHEMBL15181973 0.89 BRD4 (0.76) BRD4ADORA3TSPODNERBRDT
SCHEMBL21320249 0.89 BRD4 (0.76) BRD4ADORA3TSPODNERBRDT
SCHEMBL17486519 0.88 BRD4 (0.81) BRD4ADORA3TSPODNERBRDT
SCHEMBL18551523 0.88 BRD4 (0.81) BRD4ADORA3TSPODNERBRDT
SCHEMBL18611658 0.88 BRD4 (0.66) BRD4ADORA3TSPODNERBRDT
SCHEMBL18629000 0.86 BRD4 (0.76) BRD4DNERBRDT
SCHEMBL18591678 0.85 BRD4 (0.82) BRD4ADORA3TSPODNERBRDT
SCHEMBL18551522 0.84 BRD4 (0.84) BRD4ADORA3TSPODNERBRDT

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-2024054604-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed