SCHEMBL30829083

SCHEMBL30829083

COc1cc(CCN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.70
INSR P06213 8/20 0.70
IGF1R P08069 5/20 0.67
MAP4K1 Q92918 10/20 0.64

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
SCHEMBL23116181 1.00 ALK (0.70) ALKINSRIGF1RMAP4K1
SCHEMBL22462158 0.91 ALK (0.71) ALKINSRIGF1RMAP4K1
SCHEMBL22462144 0.90 ALK (0.71) ALKINSRIGF1RMAP4K1
SCHEMBL25566394 0.89 ALK (0.63) ALKINSRIGF1RMAP4K1
SCHEMBL25565571 0.89 ALK (0.65) ALKINSRIGF1RMAP4K1
SCHEMBL25575516 0.89 MAP4K1 (0.64) ALKINSRIGF1RMAP4K1
SCHEMBL25566246 0.88 ALK (0.67) ALKINSRIGF1RMAP4K1
SCHEMBL13832407 0.88 ALK (0.62) ALKINSRIGF1RMAP4K1
SCHEMBL25566395 0.88 ALK (0.64) ALKINSRIGF1RMAP4K1
SCHEMBL25565573 0.87 ALK (0.68) ALKINSRIGF1RMAP4K1

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-3715343-B1 DIPHENYLAMINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2024-02-14 EP disclosed