SCHEMBL28524966

SCHEMBL28524966

CN1C(=O)C2(CCNCC2)c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.57

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
SCHEMBL28532748 0.96 ABL1 (0.57) ABL1
SCHEMBL28531823 0.91 ABL1 (0.56) ABL1
SCHEMBL28523606 0.88 ABL1 (0.55) ABL1
SCHEMBL28532680 0.88 ABL1 (0.60) ABL1
SCHEMBL28525034 0.83 ABL1 (0.64) ABL1
SCHEMBL28526370 0.82 ABL1 (0.43) ABL1
SCHEMBL30046917 0.82 ABL1 (0.53) ABL1
SCHEMBL30047598 0.81 ABL1 (0.59) ABL1
SCHEMBL28532757 0.80 ABL1 (0.62) ABL1
SCHEMBL22938707 0.80 ABL1 (0.64) ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300129-B Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-09-14 — — CN disclosed
CN-112300129-A Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-02-02 — — CN disclosed
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