SCHEMBL21100259

SCHEMBL21100259

Cc1cccc(Nc2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC(C)C)nc3ccsc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.55
▸ INSR P06213 16/20 0.55
▸ NPM1 P06748 10/20 0.55
▸ KCNH2 Q12809 5/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ RET P07949 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ MET P08581 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ PLK1 P53350 1/20 0.48
▸ EPHB4 P54760 1/20 0.48
▸ BTK Q06187 1/20 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
SCHEMBL21099816 0.90 ALK (0.53) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867347 0.89 ALK (0.52) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099672 0.84 ALK (0.58) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099671 0.83 ALK (0.80) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867263 0.83 ALK (0.59) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867348 0.82 ALK (0.46) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21150899 0.82 ALK (0.49) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867194 0.82 ALK (0.58) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL19867367 0.79 ALK (0.52) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099420 0.79 ALK (0.52) ALKINSRNPM1KCNH2CYP3A4

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
EP-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 — — EP disclosed
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