SCHEMBL29383960

SCHEMBL29383960

Nc1cc2c(cc1OCCCN1CCN(CCOC3CCCCO3)CC1)N=CNC2(N)c1ccnc(-c2ccccc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL25370121 0.77 TGFBR1 (0.35) TGFBR1
SCHEMBL30428787 0.75 EPHA2 (0.47) —
SCHEMBL25663602 0.75 EPHA2 (0.47) —
SCHEMBL29382633 0.71 LRRK2 (0.36) TGFBR1KDM4E
SCHEMBL30938807 0.70 EGFR (0.41) TGFBR1KDM4E
SCHEMBL29382623 0.69 KDM4E (0.41) KDM4E
SCHEMBL30420076 0.68 TGFBR1 (0.36) TGFBR1
SCHEMBL31193354 0.67 SIGMAR1 (0.39) —
SCHEMBL25215331 0.66 EPHA2 (0.45) —
SCHEMBL29382383 0.65 POLB (0.33) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022033410-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — WO disclosed
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