SCHEMBL29927002

SCHEMBL29927002

CN(C)C(=O)Cc1ccc(NC(=O)c2cc(C3CCCNC3)n3ncnc(N)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 7/20 0.46
▸ TYRO3 Q06418 8/20 0.44
▸ AXL P30530 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ERBB2 P04626 1/20 0.40

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
SCHEMBL29926340 0.85 ACVRL1 (0.46) ACVRL1BTKERBB2
SCHEMBL29927100 0.83 ERBB2 (0.59) ERBB2
SCHEMBL27315261 0.78 RET (0.47) TYRO3AXLMERTK
SCHEMBL27315239 0.78 RET (0.51) TYRO3AXLMERTK
SCHEMBL27315234 0.78 RET (0.56) TYRO3AXLMERTK
SCHEMBL29926832 0.74 RET (0.62) ERBB2
SCHEMBL28902625 0.74 RET (0.62) ERBB2
SCHEMBL28923114 0.74 RET (0.62) ERBB2
SCHEMBL27315264 0.70 AXL (0.48) TYRO3AXLMERTK
SCHEMBL29926348 0.70 ERBB2 (0.45) ACVRL1BTKERBB2

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
CN-113336760-B Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-11-04 — — CN disclosed
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