SCHEMBL28401628

SCHEMBL28401628

Cc1ncc(Cl)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.63
BCR P11274 9/20 0.63
PRKCA P17252 5/20 0.63
PRKCD Q05655 3/20 0.63
KIT P10721 4/20 0.58
PDGFRB P09619 6/20 0.57
PDGFRA P16234 6/20 0.57
EGFR P00533 5/20 0.57
SRC P12931 1/20 0.54
PRKACA P17612 1/20 0.54
PRKACG P22612 1/20 0.54
PRKACB P22694 1/20 0.54
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
PRKCB P05771 1/20 0.54
LCK P06239 1/20 0.54
PRKCH P24723 1/20 0.54
PRKCI P41743 1/20 0.54
ZAP70 P43403 1/20 0.54
PRKCE Q02156 1/20 0.54

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
SCHEMBL29855980 1.00 ABL1 (0.63) ABL1BCRPRKCAPRKCDKIT
SCHEMBL3004681 0.86 ABL1 (0.75) ABL1BCRPRKCAPRKCDKIT
SCHEMBL29928272 0.86 ABL1 (0.61) ABL1BCRPRKCAPRKCDKIT
SCHEMBL29912657 0.86 ABL1 (0.75) ABL1BCRPRKCAPRKCDKIT
SCHEMBL3009103 0.83 ABL1 (0.67) ABL1BCRPRKCAPRKCDKIT
SCHEMBL4894119 0.83 ABL1 (0.65) ABL1BCRPRKCAPRKCDPDGFRB
SCHEMBL29855956 0.83 ABL1 (0.67) ABL1BCRPRKCAPRKCDKIT
SCHEMBL3004033 0.79 ABL1 (0.72) ABL1BCRPRKCAPRKCDKIT
SCHEMBL4373707 0.79 ABL1 (0.72) ABL1BCRPRKCAPRKCDKIT
SCHEMBL12320924 0.78 ABL1 (0.78) ABL1BCRPRKCAKITPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072636-A Synthesis method of flumatinib 江苏豪森药业集团有限公司 2020-04-28 CN claimed
CN-111072636-B Synthesis method of flumatinib 江苏豪森药业集团有限公司 2022-08-23 CN disclosed
CN-111072636-A Synthesis method of flumatinib 江苏豪森药业集团有限公司 2020-04-28 CN disclosed