SCHEMBL31235559

SCHEMBL31235559

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)P(C)(C)=O)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.80
▸ MET P08581 2/20 0.80
▸ INSR P06213 16/20 0.79
▸ IGF1R P08069 16/20 0.79
▸ ALK Q9UM73 16/20 0.79
▸ CHEK1 O14757 1/20 0.79
▸ AURKA O14965 1/20 0.79
▸ NUAK1 O60285 1/20 0.79
▸ JAK2 O60674 1/20 0.79
▸ STK10 O94804 1/20 0.79
▸ PRKD3 O94806 1/20 0.79
▸ SLC34A2 O95436 1/20 0.79
▸ CHEK2 O96017 1/20 0.79
▸ ABL1 P00519 1/20 0.79
▸ CD74 P04233 1/20 0.79
▸ ERBB2 P04626 1/20 0.79
▸ LCK P06239 1/20 0.79
▸ FYN P06241 1/20 0.79
▸ FES P07332 1/20 0.79
▸ CSF1R P07333 1/20 0.79

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
SCHEMBL26622426 1.00 EGFR (0.80) EGFRMETINSRIGF1RALK
SCHEMBL21432184 0.95 EGFR (0.79) EGFRMETINSRIGF1RALK
SCHEMBL29045206 0.90 EGFR (0.82) EGFRMETINSRIGF1RALK
SCHEMBL21432183 0.89 EGFR (1.00) EGFRMETINSRIGF1RALK
Brigatinib SCHEMBL29350096 0.88 ALK (1.00) EGFRMETINSRIGF1RALK
Brigatinib SCHEMBL11916361 0.88 ALK (1.00) EGFRMETINSRIGF1RALK
Brigatinib SCHEMBL29432539 0.88 ALK (1.00) EGFRMETINSRIGF1RALK
SCHEMBL23378017 0.88 EGFR (0.88) EGFRMETINSRIGF1RALK
SCHEMBL15217790 0.88 INSR (1.00) EGFRMETINSRIGF1RALK
SCHEMBL22518887 0.87 EGFR (0.87) EGFRMETINSRIGF1RALK

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-2024242360-A1 CANCER THERAPEUTIC AGENT MEDIATED BY ALK 주식회사 온코빅스 2024-11-28 — — WO claimed
WO-2024242360-A1 CANCER THERAPEUTIC AGENT MEDIATED BY ALK 주식회사 온코빅스 2024-11-28 — — WO disclosed
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