SCHEMBL22938423

SCHEMBL22938423

COC(=O)c1cc(Br)c2c(c1)NC(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ MDH2 P40926 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ CRBN Q96SW2 1/20 0.40
▸ NOTUM Q6P988 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL28459022 0.84 LMNA (0.48) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL6352617 0.82 ALDH1A1 (0.47) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL22696301 0.79 LMNA (0.44) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL29167520 0.79 LMNA (0.44) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL2309393 0.77 CDK1 (0.41) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL21905584 0.76 ALDH1A1 (0.60) LMNAALDH1A1CRBNNOTUMHTT
SCHEMBL28998391 0.76 ALDH1A1 (0.44) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL31417618 0.75 NOTUM (0.40) LMNAALDH1A1NOTUMHSD17B10CA12
SCHEMBL18387621 0.75 NOTUM (0.40) LMNAALDH1A1NOTUMHSD17B10CA12
SCHEMBL18739134 0.74 ALDH1A1 (0.42) LMNAALDH1A1CRBNNOTUMHTT

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
WO-2025067457-A1 HETEROCYCLIC FUSED RING COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-04-03 — — WO disclosed
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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