SCHEMBL22938707

SCHEMBL22938707

CN1C(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c2C1(C)C

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.64
▸ BCR P11274 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ CRBN Q96SW2 1/20 0.58

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
SCHEMBL30046879 1.00 ABL1 (0.64) ABL1BCRKCNH2CRBN
SCHEMBL30046660 0.90 ABL1 (0.59) ABL1
SCHEMBL22939371 0.90 ABL1 (0.59) ABL1
SCHEMBL28524590 0.87 ABL1 (0.61) ABL1BCRKCNH2CRBN
SCHEMBL28523803 0.86 ABL1 (0.54) ABL1
SCHEMBL28532680 0.85 ABL1 (0.60) ABL1
SCHEMBL28533129 0.85 ABL1 (0.59) ABL1BCRKCNH2CRBN
SCHEMBL28518635 0.84 ABL1 (0.61) ABL1
SCHEMBL22939415 0.84 ABL1 (0.53) ABL1
SCHEMBL30046925 0.84 ABL1 (0.53) 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 4 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 claimed
CN-112300129-B Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-09-14 — — CN disclosed
WO-2021018194-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 — — WO 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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