SCHEMBL29904662

SCHEMBL29904662

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C)c(N3CCC(N4CCN(C)CC4)CC3)nc2OC)ncc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.65
▸ INSR P06213 14/20 0.65
▸ IGF1R P08069 12/20 0.65
▸ EGFR P00533 7/20 0.62
▸ FGFR1 P11362 3/20 0.62
▸ FGFR2 P21802 3/20 0.62
▸ FGFR4 P22455 3/20 0.62
▸ FGFR3 P22607 3/20 0.62
▸ MET P08581 3/20 0.62
▸ CHEK1 O14757 2/20 0.62
▸ AURKA O14965 2/20 0.62
▸ NUAK1 O60285 2/20 0.62
▸ JAK2 O60674 2/20 0.62
▸ STK10 O94804 2/20 0.62
▸ PRKD3 O94806 2/20 0.62
▸ CHEK2 O96017 2/20 0.62
▸ ABL1 P00519 2/20 0.62
▸ ERBB2 P04626 2/20 0.62
▸ LCK P06239 2/20 0.62
▸ FYN P06241 2/20 0.62

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
SCHEMBL26906710 1.00 ALK (0.65) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906628 0.88 ALK (0.75) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906797 0.88 ALK (0.68) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906661 0.86 ALK (0.87) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906646 0.83 EGFR (0.66) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906731 0.82 EGFR (0.65) ALKINSRIGF1REGFRFGFR1
SCHEMBL30659706 0.82 EGFR (0.54) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906878 0.81 ALK (0.73) ALKINSRIGF1REGFRFGFR1
SCHEMBL29114861 0.81 ALK (0.66) ALKINSRIGF1REGFRFGFR1
SCHEMBL12781316 0.81 ALK (0.77) ALKINSRIGF1REGFRFGFR1

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
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 — — WO claimed
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 — — WO disclosed
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