SCHEMBL992793

SCHEMBL992793

CC(C)(C)OC(=O)ON1CCC(n2cc(-c3cnc(N)c(C=O)c3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 5/20 0.43
MET P08581 7/20 0.41
ALK Q9UM73 1/20 0.41
AXL P30530 4/20 0.41
MERTK Q12866 4/20 0.41
JAK2 O60674 2/20 0.40
GRK5 P34947 1/20 0.39

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
SCHEMBL2680817 0.87 MET (0.49) MAP4K3MET
SCHEMBL4089510 0.80 MET (0.55) MAP4K3METAXLMERTKJAK2
SCHEMBL14764140 0.78 KDM5A (0.41) JAK2
SCHEMBL16390864 0.77 EGFR (0.51) METGRK5
SCHEMBL18616304 0.77 MAP4K3 (0.60) MAP4K3METALKJAK2GRK5
SCHEMBL17310200 0.74 MET (0.53) MAP4K3METALK
SCHEMBL2479647 0.74 MAP3K7 (0.45) MAP4K3METALKAXLMERTK
SCHEMBL2330627 0.74 MET (0.51) MAP4K3MET
SCHEMBL20067677 0.73 MAP4K3 (0.53) MAP4K3METAXLMERTK
SCHEMBL2385504 0.72 MET (0.53) MAP4K3METAXLMERTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed