SCHEMBL24698174

SCHEMBL24698174

NCc1cccc(-c2nc(N3CC(F)C3)nc3c2CCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.35
AOC3 Q16853 2/20 0.34
VCP P55072 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
TYRO3 Q06418 2/20 0.33
CDK9 P50750 2/20 0.32
AXL P30530 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CCNT1 O60563 1/20 0.32
SYK P43405 1/20 0.31

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
SCHEMBL24698505 0.89 CFD (0.37) CFDVCPPRMT6
SCHEMBL24697738 0.89 HRH2 (0.38) VCPHCRTR1HCRTR2CDK9CCNT1
SCHEMBL24699003 0.86 PRMT6 (0.39) CFDAOC3VCPPRMT6
SCHEMBL30015765 0.84 MTOR (0.34) CFDVCPPRMT6NOS3NOS1
SCHEMBL24698173 0.84 MTOR (0.34) CFDVCPPRMT6NOS3NOS1
SCHEMBL24698951 0.83 HCRTR1 (0.34) HCRTR1HCRTR2CDK9
SCHEMBL24698098 0.82 VCP (0.39) VCPHCRTR1HCRTR2
SCHEMBL24698503 0.80 CFD (0.36) CFDVCPPRMT6NOS3NOS1
SCHEMBL24699012 0.80 MTOR (0.41) CFDVCPPRMT6NOS3NOS1
SCHEMBL30015464 0.80 MTOR (0.41) CFDVCPPRMT6NOS3NOS1

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed