SCHEMBL25451840

SCHEMBL25451840

Bc1cnc(Nc2cc(Cl)c(N3CCC(N4CCN(C)CC4)CC3)cc2OC)nc1Nc1ccc(F)cc1P(C)(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.68
▸ INSR P06213 11/20 0.68
▸ IGF1R P08069 11/20 0.68
▸ EGFR P00533 8/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ NUAK1 O60285 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ SLC34A2 O95436 1/20 0.62
▸ CHEK2 O96017 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ CD74 P04233 1/20 0.62
▸ ERBB2 P04626 1/20 0.62
▸ LCK P06239 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ FES P07332 1/20 0.62
▸ CSF1R P07333 1/20 0.62
▸ YES1 P07947 1/20 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
SCHEMBL25449052 0.93 ALK (0.67) ALKINSRIGF1REGFRCHEK1
SCHEMBL25450066 0.92 ALK (0.68) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916435 0.85 ALK (0.84) ALKINSRIGF1REGFRCHEK1
SCHEMBL24178987 0.85 EGFR (0.67) ALKINSRIGF1REGFRCHEK1
SCHEMBL24179085 0.84 ALK (0.68) ALKINSRIGF1REGFRCHEK1
SCHEMBL24179086 0.84 EGFR (0.74) ALKINSRIGF1REGFRCHEK1
SCHEMBL25450111 0.82 EGFR (0.62) ALKINSRIGF1REGFRCHEK1
SCHEMBL24179044 0.81 ALK (0.85) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916550 0.81 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916499 0.81 ALK (0.84) ALKINSRIGF1REGFRCHEK1

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-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 — — EP disclosed
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