SCHEMBL23939255

SCHEMBL23939255

BC(O)(Nc1cccc(C=C)c1CN(C)C1(O)CCC(=O)NC1=O)c1ccc(CN2CCOCC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.32
▸ AURKA O14965 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ AURKB Q96GD4 2/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ WDR5 P61964 2/20 0.30

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
SCHEMBL21281559 0.71 WDR5 (0.32) AURKACDK1CCNB1CDK2AURKB
SCHEMBL20459226 0.70 CRBN (0.46) CXCR3DDB1CRBN
SCHEMBL21281367 0.70 WDR5 (0.32) AURKACDK1CCNB1CDK2AURKB
SCHEMBL23939205 0.69 CRBN (0.40) CXCR3DDB1CRBNWDR5
SCHEMBL19310003 0.69 CRBN (0.40) CXCR3DDB1CRBNWDR5
SCHEMBL21281545 0.68 CRBN (0.41) CXCR3DDB1CRBNWDR5
SCHEMBL23938965 0.67 CXCR3 (0.31) CXCR3
SCHEMBL21927121 0.65 CRBN (0.41) CXCR3DDB1CRBNWDR5
SCHEMBL21281361 0.64 — —
SCHEMBL21281325 0.63 CRBN (0.46) CXCR3DDB1CRBN

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-3643709-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-20 — — EP disclosed
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