SCHEMBL26906856

SCHEMBL26906856

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2CS(N)(=O)=O)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.73
▸ INSR P06213 11/20 0.73
▸ IGF1R P08069 11/20 0.73
▸ EGFR P00533 10/20 0.65
▸ MET P08581 3/20 0.60
▸ CHEK1 O14757 2/20 0.60
▸ AURKA O14965 2/20 0.60
▸ NUAK1 O60285 2/20 0.60
▸ JAK2 O60674 2/20 0.60
▸ STK10 O94804 2/20 0.60
▸ PRKD3 O94806 2/20 0.60
▸ CHEK2 O96017 2/20 0.60
▸ ABL1 P00519 2/20 0.60
▸ ERBB2 P04626 2/20 0.60
▸ LCK P06239 2/20 0.60
▸ FYN P06241 2/20 0.60
▸ FES P07332 2/20 0.60
▸ CSF1R P07333 2/20 0.60
▸ YES1 P07947 2/20 0.60
▸ LYN P07948 2/20 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
SCHEMBL29904619 0.94 ALK (0.74) ALKINSRIGF1REGFRMET
SCHEMBL26906516 0.87 EGFR (0.80) ALKINSRIGF1REGFRMET
SCHEMBL26906628 0.86 ALK (0.75) ALKINSRIGF1REGFRMET
SCHEMBL29904647 0.85 ALK (0.76) ALKINSRIGF1REGFRMET
SCHEMBL26906878 0.85 ALK (0.73) ALKINSRIGF1REGFRMET
SCHEMBL11916553 0.84 ALK (1.00) ALKINSRIGF1REGFRMET
SCHEMBL26906852 0.84 ALK (0.77) ALKINSRIGF1REGFRMET
SCHEMBL27360981 0.84 ALK (0.77) ALKINSRIGF1REGFRMET
SCHEMBL27075961 0.84 ALK (0.70) ALKINSRIGF1REGFRMET
SCHEMBL27076058 0.84 ALK (0.72) ALKINSRIGF1REGFRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4286376-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME Therapex Co., Ltd. (KR) 2023-12-06 — — EP disclosed
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