SCHEMBL28368854

SCHEMBL28368854

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(OC(N)=O)[SH](=O)=O)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 15/20 0.76
▸ IGF1R P08069 15/20 0.76
▸ ALK Q9UM73 15/20 0.76
▸ EGFR P00533 7/20 0.73
▸ MET P08581 3/20 0.73
▸ CHEK1 O14757 2/20 0.69
▸ AURKA O14965 2/20 0.69
▸ NUAK1 O60285 2/20 0.69
▸ JAK2 O60674 2/20 0.69
▸ STK10 O94804 2/20 0.69
▸ PRKD3 O94806 2/20 0.69
▸ CHEK2 O96017 2/20 0.69
▸ ABL1 P00519 2/20 0.69
▸ ERBB2 P04626 2/20 0.69
▸ LCK P06239 2/20 0.69
▸ FYN P06241 2/20 0.69
▸ FES P07332 2/20 0.69
▸ CSF1R P07333 2/20 0.69
▸ YES1 P07947 2/20 0.69
▸ LYN P07948 2/20 0.69

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
SCHEMBL29045206 0.89 EGFR (0.82) INSRIGF1RALKEGFRMET
Carbamic Acid SCHEMBL28368857 0.87 ALK (0.79) INSRIGF1RALKEGFRMET
SCHEMBL21432184 0.85 EGFR (0.79) INSRIGF1RALKEGFRMET
SCHEMBL15217790 0.85 INSR (1.00) INSRIGF1RALKEGFRMET
SCHEMBL26611595 0.85 INSR (0.84) INSRIGF1RALKEGFRMET
SCHEMBL26622426 0.85 EGFR (0.80) INSRIGF1RALKEGFRMET
SCHEMBL21432183 0.85 EGFR (1.00) INSRIGF1RALKEGFRMET
SCHEMBL31235559 0.85 EGFR (0.80) INSRIGF1RALKEGFRMET
SCHEMBL28368559 0.84 EGFR (0.82) INSRIGF1RALKEGFRMET
SCHEMBL23378017 0.84 EGFR (0.88) INSRIGF1RALKEGFRMET

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-110740999-A N2, N4-diphenylpyrimidine-2, 4-diamine derivative, process for producing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2020-01-31 — — CN claimed
CN-110740999-A N2, N4-diphenylpyrimidine-2, 4-diamine derivative, process for producing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2020-01-31 — — CN disclosed
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