SCHEMBL28629640

SCHEMBL28629640

Cc1c(CC(=O)N(C)C)ccc(NC(=O)c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)c1C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 15/20 0.59
▸ EGFR P00533 5/20 0.59
▸ SRC P12931 5/20 0.51
▸ JAK3 P52333 1/20 0.49
▸ ERBB4 Q15303 1/20 0.49
▸ ABL1 P00519 2/20 0.48
▸ ABL2 P42684 2/20 0.48

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
SCHEMBL28629639 1.00 ERBB2 (0.59) ERBB2EGFRSRCJAK3ERBB4
SCHEMBL28645350 0.88 ERBB2 (0.76) ERBB2EGFRJAK3ERBB4
SCHEMBL28645353 0.88 ERBB2 (0.76) ERBB2EGFRJAK3ERBB4
SCHEMBL29926821 0.86 RET (0.58) ERBB2EGFRSRCABL1ABL2
SCHEMBL29926948 0.82 ERBB2 (0.54) ERBB2EGFRSRCJAK3ERBB4
SCHEMBL28630033 0.82 ERBB2 (0.54) ERBB2EGFRSRCJAK3ERBB4
SCHEMBL28630028 0.82 ERBB2 (0.54) ERBB2EGFRSRCJAK3ERBB4
SCHEMBL29926654 0.79 SRC (0.66) EGFRSRCABL1ABL2
SCHEMBL28627632 0.79 SRC (0.66) EGFRSRCABL1ABL2
SCHEMBL28627629 0.79 SRC (0.66) EGFRSRCABL1ABL2

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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