SCHEMBL29045195

SCHEMBL29045195

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 16/20 0.71
▸ IGF1R P08069 16/20 0.71
▸ ALK Q9UM73 16/20 0.71
▸ EGFR P00533 4/20 0.67
▸ MET P08581 2/20 0.67
▸ PLK1 P53350 2/20 0.64
▸ CHEK1 O14757 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ NUAK1 O60285 1/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ STK10 O94804 1/20 0.60
▸ PRKD3 O94806 1/20 0.60
▸ SLC34A2 O95436 1/20 0.60
▸ CHEK2 O96017 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ CD74 P04233 1/20 0.60
▸ ERBB2 P04626 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ FYN P06241 1/20 0.60
▸ FES P07332 1/20 0.60

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
SCHEMBL22518897 0.90 EGFR (0.82) INSRIGF1RALKEGFRMET
SCHEMBL29045176 0.90 INSR (0.74) INSRIGF1RALKEGFRMET
SCHEMBL29045206 0.90 EGFR (0.82) INSRIGF1RALKEGFRMET
SCHEMBL22518893 0.82 EGFR (0.69) INSRIGF1RALKEGFRMET
SCHEMBL24327332 0.82 ALK (0.67) INSRIGF1RALKEGFRMET
SCHEMBL22518896 0.81 EGFR (0.87) INSRIGF1RALKEGFRMET
SCHEMBL22518904 0.80 EGFR (0.87) INSRIGF1RALKEGFRMET
SCHEMBL31235559 0.80 EGFR (0.80) INSRIGF1RALKEGFRMET
SCHEMBL21432183 0.80 EGFR (1.00) INSRIGF1RALKEGFRMET
SCHEMBL26622426 0.80 EGFR (0.80) 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-111386266-B Pyrimidine derivatives having cancer cell growth inhibiting effect and pharmaceutical compositions containing the same 昂科比克斯有限公司 2023-08-04 — — CN claimed
CN-111386266-B Pyrimidine derivatives having cancer cell growth inhibiting effect and pharmaceutical compositions containing the same 昂科比克斯有限公司 2023-08-04 — — CN disclosed
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