SCHEMBL28362602

SCHEMBL28362602

Cc1cc(C#CCN(C)C)c(N)cc1Nc1nccc(-c2c3n(c4ccccc24)CCC3)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.39
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
LCK P06239 1/20 0.34
RET P07949 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAP3K14 Q99558 1/20 0.32

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
SCHEMBL18202189 0.91 EGFR (0.47) EGFRKCNH2
SCHEMBL19921275 0.84 EGFR (0.43) EGFRCCNB2CDK1CCNB1CCNB3
SCHEMBL28378854 0.82 EGFR (0.43) EGFRCCNB2CDK1CCNB1CCNB3
SCHEMBL18202284 0.80 EGFR (0.47) EGFRKCNH2
SCHEMBL19921265 0.79 EGFR (0.41) EGFRCCNB2CDK1CCNB1CCNB3
SCHEMBL19921278 0.78 EGFR (0.41) EGFRLCKGSK3BDYRK1A
SCHEMBL18202285 0.78 EGFR (0.63) EGFRKCNH2
SCHEMBL18202166 0.77 EGFR (0.60) EGFRKCNH2
SCHEMBL21158687 0.77 EGFR (0.45) EGFR
SCHEMBL18202318 0.77 EGFR (0.52) EGFRKCNH2

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-107973791-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 南京圣和药业股份有限公司 2020-04-07 CN disclosed
CN-107614503-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2020-03-10 CN disclosed