SCHEMBL30100744

SCHEMBL30100744

CN1Cc2cc(N)ccc2NC1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.66
CREBBP Q92793 3/20 0.59
BRD2 P25440 1/20 0.50

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
SCHEMBL3593649 1.00 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL3599751 0.86 BRD4 (0.59) BRD4CREBBPBRD2
SCHEMBL434040 0.81 BRD4 (0.68) BRD4CREBBPBRD2
SCHEMBL1771061 0.79 BRD4 (1.00) BRD4CREBBPBRD2
SCHEMBL20160389 0.79 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL8134588 0.79 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL3593647 0.79 BRD4 (0.66) BRD4CREBBPBRD2
SCHEMBL22513821 0.77 BRD4 (0.62) BRD4CREBBPBRD2
SCHEMBL2054633 0.77 BRD4 (0.62) BRD4CREBBPBRD2
SCHEMBL1770806 0.77 BRD4 (0.62) BRD4CREBBPBRD2

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