SCHEMBL28630033

SCHEMBL28630033

Cc1c(CC(=O)N(C)C)ccc(NC(=O)c2cn(C3CCCNC3)c3ncnc(N)c23)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 13/20 0.54
▸ EGFR P00533 2/20 0.54
▸ RET P07949 7/20 0.49
▸ LCK P06239 2/20 0.49
▸ SRC P12931 2/20 0.49
▸ JAK3 P52333 1/20 0.44
▸ ERBB4 Q15303 1/20 0.44

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
SCHEMBL29926948 1.00 ERBB2 (0.54) ERBB2EGFRRETLCKSRC
SCHEMBL28630028 1.00 ERBB2 (0.54) ERBB2EGFRRETLCKSRC
SCHEMBL30244942 0.85 ERBB2 (0.71) ERBB2EGFRJAK3ERBB4
SCHEMBL28902625 0.85 RET (0.62) ERBB2RETLCKSRC
SCHEMBL29926832 0.85 RET (0.62) ERBB2RETLCKSRC
SCHEMBL28923114 0.85 RET (0.62) ERBB2RETLCKSRC
SCHEMBL28645353 0.83 ERBB2 (0.76) ERBB2EGFRJAK3ERBB4
SCHEMBL28645350 0.83 ERBB2 (0.76) ERBB2EGFRJAK3ERBB4
SCHEMBL28629640 0.82 ERBB2 (0.59) ERBB2EGFRSRCJAK3ERBB4
SCHEMBL28629639 0.82 ERBB2 (0.59) ERBB2EGFRSRCJAK3ERBB4

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-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
CN-113336760-A Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2021-09-03 — — CN disclosed
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