SCHEMBL28533129

SCHEMBL28533129

CC1(C)c2c(cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)C(=O)N1CCN1CCSCC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.59
▸ BCR P11274 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ CRBN Q96SW2 1/20 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
SCHEMBL28524590 0.94 ABL1 (0.61) ABL1BCRKCNH2CRBN
SCHEMBL30046736 0.91 ABL1 (0.58) ABL1BCRKCNH2CRBN
SCHEMBL30046660 0.89 ABL1 (0.59) ABL1
SCHEMBL22939371 0.89 ABL1 (0.59) ABL1
SCHEMBL28520273 0.88 ABL1 (0.63) ABL1BCRKCNH2CRBN
SCHEMBL28520272 0.88 ABL1 (0.63) ABL1BCRKCNH2CRBN
SCHEMBL22938707 0.85 ABL1 (0.64) ABL1BCRKCNH2CRBN
SCHEMBL30046879 0.85 ABL1 (0.64) ABL1BCRKCNH2CRBN
SCHEMBL28518670 0.81 ABL1 (0.46) ABL1
SCHEMBL28525034 0.79 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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