SCHEMBL30100774

SCHEMBL30100774

CCc1cnccc1C(=O)Nc1ccc2c(c1)CC(C)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.39
▸ CREBBP Q92793 5/20 0.39
▸ CRBN Q96SW2 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL26086551 1.00 BRD4 (0.39) BRD4CREBBPCRBNAAK1LMNA
SCHEMBL31329494 0.82 MAP4K1 (0.51) CRBN
SCHEMBL21646064 0.82 MAP4K1 (0.51) CRBN
SCHEMBL31329495 0.82 MAP4K1 (0.51) CRBN
SCHEMBL26087076 0.82 CREBBP (0.44) BRD4CREBBP
SCHEMBL30100709 0.82 CREBBP (0.44) BRD4CREBBP
SCHEMBL30100769 0.81 BRD4 (0.57) BRD4CRBN
SCHEMBL26089057 0.81 KDR (0.37) BRD4CRBNLMNAL3MBTL1KDR
SCHEMBL26441299 0.81 BRD4 (0.57) BRD4CRBN
SCHEMBL26086646 0.80 OTUD7B (0.38) BRD4CRBNLMNAL3MBTL1KDR

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-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 — — EP disclosed
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