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Sugi Predict / Compounds / SCHEMBL28645870

SCHEMBL28645870

SCHEMBL28645870

CC(C)(C)OC(=O)N1CCCC(c2nn(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc23)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.46
▸ EGFR P00533 3/20 0.46
▸ ERBB2 P04626 2/20 0.46
▸ BLK P51451 1/20 0.46
▸ BMX P51813 1/20 0.46
▸ MAP2K1 Q02750 1/20 0.46
▸ ERBB4 Q15303 1/20 0.46
▸ KDM1A O60341 1/20 0.40
▸ THRB P10828 1/20 0.39

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
SCHEMBL29989719 1.00 BTK (0.46) BTKEGFRERBB2BLKBMX
SCHEMBL28859061 0.88 BTK (0.60) BTKEGFRERBB2BLKBMX
SCHEMBL28647880 0.87 EGFR (0.45) BTKEGFRERBB2BLKBMX
SCHEMBL28636595 0.86 BTK (0.45) BTKEGFRERBB2BLKBMX
SCHEMBL28644992 0.85 KDM1A (0.45) BTKEGFRERBB2BLKBMX
SCHEMBL29989628 0.83 ERBB2 (0.39) BTKEGFRERBB2BLKBMX
SCHEMBL28859054 0.83 ERBB2 (0.39) BTKEGFRERBB2BLKBMX
SCHEMBL28956018 0.80 BTK (0.47) BTKEGFRERBB2BLKBMX
SCHEMBL29989278 0.80 BTK (0.47) BTKEGFRERBB2BLKBMX
SCHEMBL21044845 0.80 BTK (0.60) BTK

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-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 — — CN disclosed
CN-113493439-A Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2021-10-12 — — CN disclosed