SCHEMBL25874263

SCHEMBL25874263

COc1cc(N2CCC(CN3CCC(CN)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[SH]=O)n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.65
▸ INSR P06213 9/20 0.65
▸ IGF1R P08069 9/20 0.65
▸ EGFR P00533 10/20 0.57
▸ MET P08581 1/20 0.57
▸ AURKA O14965 1/20 0.56
▸ ROS1 P08922 1/20 0.56
▸ EML4 Q9HC35 1/20 0.56
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52

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
SCHEMBL25871548 0.92 ALK (0.65) ALKINSRIGF1REGFRMET
SCHEMBL25872052 0.91 ALK (0.62) ALKINSRIGF1REGFRMET
SCHEMBL25871927 0.90 ALK (0.62) ALKINSRIGF1REGFRMET
SCHEMBL25307921 0.90 EGFR (0.71) ALKINSRIGF1REGFRMET
SCHEMBL25874478 0.90 ALK (0.59) ALKINSRIGF1REGFR
SCHEMBL25871978 0.89 ALK (0.60) ALKINSRIGF1REGFRMET
SCHEMBL25871745 0.89 ALK (0.61) ALKINSRIGF1REGFRMET
SCHEMBL25872849 0.88 ALK (0.59) ALKINSRIGF1REGFRMET
SCHEMBL25871546 0.87 ALK (0.64) ALKINSRIGF1REGFR
SCHEMBL25871925 0.87 ALK (0.59) 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-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 — — EP disclosed
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