SCHEMBL30914631

SCHEMBL30914631

CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OCC(F)(F)F)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.63
▸ INSR P06213 8/20 0.63
▸ IGF1R P08069 8/20 0.63
▸ EGFR P00533 6/20 0.63
▸ ROS1 P08922 4/20 0.59
▸ MAP4K1 Q92918 3/20 0.59
▸ CHEK1 O14757 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ NUAK1 O60285 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ PRKD3 O94806 1/20 0.56
▸ SLC34A2 O95436 1/20 0.56
▸ CHEK2 O96017 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ CD74 P04233 1/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ FES P07332 1/20 0.56

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
SCHEMBL22462111 1.00 ALK (0.63) ALKINSRIGF1REGFRROS1
SCHEMBL22462107 0.93 INSR (0.68) ALKINSRIGF1REGFRROS1
SCHEMBL30914630 0.90 INSR (0.67) ALKINSRIGF1REGFRROS1
SCHEMBL22462103 0.90 INSR (0.67) ALKINSRIGF1REGFRROS1
SCHEMBL22462110 0.89 ALK (0.73) ALKINSRIGF1REGFRROS1
SCHEMBL30914627 0.87 ALK (0.74) ALKINSRIGF1REGFRROS1
SCHEMBL22462108 0.87 ALK (0.74) ALKINSRIGF1REGFRROS1
SCHEMBL29245829 0.86 ALK (0.64) ALKINSRIGF1REGFRROS1
SCHEMBL22462106 0.82 INSR (0.77) ALKINSRIGF1REGFRROS1
SCHEMBL21500101 0.81 ALK (0.64) ALKINSRIGF1REGFRROS1

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-3715350-B1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2024-05-08 — — EP disclosed
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