SCHEMBL22154751

SCHEMBL22154751

Nc1ccc(NC(=O)Nc2ccnc(Cl)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.64
SMARCA4 P51532 8/20 0.64
CDK8 P49336 11/20 0.52

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
SCHEMBL22125215 0.87 SMARCA2 (0.69) SMARCA2SMARCA4
SCHEMBL9599834 0.84 SMARCA2 (0.86) SMARCA2SMARCA4
SCHEMBL22155312 0.81 SMARCA2 (0.66) SMARCA2SMARCA4
SCHEMBL22125204 0.81 SMARCA2 (0.74) SMARCA2SMARCA4
SCHEMBL11047103 0.80 SMARCA2 (0.79) SMARCA2SMARCA4
SCHEMBL27954487 0.80 MEN1 (0.64) SMARCA2SMARCA4
SCHEMBL22155020 0.80 SMARCA2 (0.76) SMARCA2SMARCA4CDK8
SCHEMBL22125246 0.80 SMARCA2 (0.59) SMARCA2SMARCA4
SCHEMBL22125125 0.79 SMARCA2 (0.71) SMARCA2SMARCA4
SCHEMBL22155017 0.79 SMARCA2 (0.62) SMARCA2SMARCA4

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-2020126968-A2 UREA DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed