SCHEMBL28574339

SCHEMBL28574339

Cc1c(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=S)n2)cnn1C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.56
CDK2 P24941 1/20 0.56
ALK Q9UM73 5/20 0.54
INSR P06213 2/20 0.54
PTK2 Q05397 11/20 0.52
EGFR P00533 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
MAP4K1 Q92918 1/20 0.45

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
SCHEMBL28569396 0.91 ALK (0.64) IGF1RCDK2ALKINSRPTK2
SCHEMBL28952532 0.84 ALK (0.47) IGF1RCDK2ALKINSRPTK2
SCHEMBL28572359 0.83 ALK (0.61) IGF1RALKINSRPTK2
SCHEMBL28564190 0.81 EGFR (0.64) IGF1RALKINSRPTK2EGFR
SCHEMBL28913878 0.78 PTK2 (0.57) IGF1RALKINSRPTK2EGFR
SCHEMBL28913875 0.78 PTK2 (0.57) IGF1RALKINSRPTK2EGFR
SCHEMBL28582736 0.75 PTK2 (0.51) IGF1RALKINSRPTK2EGFR
SCHEMBL28567986 0.75 INSR (0.58) IGF1RALKINSRPTK2EGFR
SCHEMBL28574074 0.75 PTK2 (0.72) IGF1RALKINSRPTK2EGFR
SCHEMBL30173414 0.73 IGF1R (0.49) IGF1RCDK2ALKINSREGFR

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-112771032-B Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2023-01-03 CN disclosed
CN-112771032-A Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2021-05-07 CN disclosed