SCHEMBL27650094

SCHEMBL27650094

Nc1ncc(-c2ccc([CH]N3CCCC3)cc2)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.61
MAP4K3 Q8IVH8 2/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL27650130 0.93 MET (0.52) METMAP4K3JAK2MAP4K4IGF1R
SCHEMBL27630067 0.93 MET (0.65) METMAP4K3JAK2MAP4K4
SCHEMBL27650146 0.89 MET (0.60) METMAP4K3JAK2MAP4K4
SCHEMBL27629940 0.87 MET (0.48) METMAP4K3JAK2MAP4K4
SCHEMBL27630170 0.85 MET (0.59) METMAP4K3JAK2MAP4K4
SCHEMBL27630206 0.85 MET (0.59) METMAP4K3MAP4K4
SCHEMBL27630208 0.84 MET (0.71) METMAP4K3JAK2
SCHEMBL488145 0.84 MET (0.68) METMAP4K3JAK2MAP4K4MEN1
SCHEMBL27630103 0.83 MET (0.50) METMAP4K3JAK2MAP4K4
SCHEMBL30453384 0.82 MET (0.84) METMAP4K3JAK2MAP4K4MEN1

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
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN claimed