SCHEMBL24011306

SCHEMBL24011306

NC1CCC(Cc2ncccn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
LRRK2 Q5S007 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CXCR4 P61073 1/20 0.31
CSNK1A1 P48729 2/20 0.30
CDK7 P50613 2/20 0.30
CDK9 P50750 2/20 0.30
CCNK O75909 1/20 0.30
CDK13 Q14004 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL1220398 0.89 MAP4K4 (0.37) MAP4K4JAK2JAK1JAK3
SCHEMBL3209605 0.80 RAB9A (0.41) MAP4K4
SCHEMBL3197095 0.78 RAB9A (0.44) MAP4K4
SCHEMBL803404 0.76 PDE2A (0.34) MAP4K4JAK2JAK1JAK3
SCHEMBL5688150 0.75 GBA1 (0.52) JAK2JAK1
SCHEMBL1693802 0.75 MAPK1 (0.46) MAP4K4
SCHEMBL26764897 0.75 MAP4K4 (0.32) MAP4K4
SCHEMBL20064079 0.73 CPB1 (0.32) MERTKMAPK8
SCHEMBL13162857 0.72 HRH3 (0.47) MAP4K4
SCHEMBL13439162 0.71 PAK4 (0.48) AXLFLT3TYRO3MERTKGAS6

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-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed