SCHEMBL488390

SCHEMBL488390

C[C@H](Oc1nc(-c2ccc(NC(=O)N3CCC(N)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.54
MET P08581 16/20 0.53
MAP4K2 Q12851 1/20 0.46
MAP3K1 Q13233 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
CHEK2 O96017 1/20 0.43
ALK Q9UM73 3/20 0.43
JAK2 O60674 1/20 0.42
INSR P06213 1/20 0.42
NPM1 P06748 1/20 0.42

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
SCHEMBL30452942 1.00 MAP4K3 (0.54) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL10216416 1.00 MAP4K3 (0.54) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL30452953 0.95 MAP4K3 (0.48) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL488804 0.95 MAP4K3 (0.48) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL10216410 0.95 MAP4K3 (0.48) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL488848 0.88 MET (0.61) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL30453713 0.88 MET (0.61) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL10215653 0.87 MET (0.65) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL30454989 0.87 MET (0.65) MAP4K3METMAP4K2MAP3K1AAK1
SCHEMBL487918 0.87 MET (0.65) MAP4K3METMAP4K2MAP3K1AAK1

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
JP-4695588-B2 2011-06-08 JP claimed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed