SCHEMBL462558

SCHEMBL462558

COc1cnc(N2CC(NC(=O)OC(C)(C)C)C(c3cc(F)ccc3F)C2)nc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
NTRK1 P04629 3/20 0.38
MAP3K14 Q99558 1/20 0.38
DPP4 P27487 2/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 1/20 0.34
BTK Q06187 1/20 0.34
SYK P43405 3/20 0.34
RET P07949 3/20 0.34

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
SCHEMBL462557 1.00 PDE4B (0.38) PDE4BNTRK1MAP3K14DPP4CCNT1
SCHEMBL459768 0.90 MAP3K14 (0.40) NTRK1MAP3K14DPP4NR1H2NR1H3
SCHEMBL12064591 0.90 MAP3K14 (0.40) NTRK1MAP3K14DPP4NR1H2NR1H3
SCHEMBL470545 0.85 NTRK1 (0.39) PDE4BNTRK1DPP4CCNT1CDK9
SCHEMBL459304 0.85 NTRK1 (0.40) PDE4BNTRK1DPP4CCNT1CDK9
SCHEMBL12064789 0.84 NTRK1 (0.40) NTRK1MAP3K14DPP4NR1H2RET
SCHEMBL457724 0.84 NTRK1 (0.41) NTRK1DPP4NR1H2RET
SCHEMBL457722 0.84 NTRK1 (0.41) NTRK1DPP4NR1H2RET
SCHEMBL470735 0.83 NTRK1 (0.42) NTRK1DPP4NR1H2RET
SCHEMBL14723522 0.82 NR1H2 (0.42) PDE4BNTRK1DPP4NR1H2NR1H3

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed