SCHEMBL22650386

SCHEMBL22650386

CC(C)(C)OC(=O)NC1CCCN(c2ccc(N)cn2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.44
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
FPR1 P21462 3/20 0.40
FPR2 P25090 3/20 0.40
JAK3 P52333 2/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.39
PDE10A Q9Y233 2/20 0.39
NTRK1 P04629 1/20 0.38
AURKA O14965 3/20 0.38
PDPK1 O15530 3/20 0.38
AURKB Q96GD4 3/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL18964486 0.88 MAP4K4 (0.42) MAP4K4CKS1BSKP1SKP2F2
SCHEMBL28377656 0.88 MAP4K4 (0.42) MAP4K4CKS1BSKP1SKP2F2
SCHEMBL22454874 0.88 MAP4K4 (0.42) MAP4K4CKS1BSKP1SKP2F2
SCHEMBL30133739 0.88 MAP4K4 (0.42) MAP4K4CKS1BSKP1SKP2F2
SCHEMBL30133744 0.88 MAP4K4 (0.42) MAP4K4CKS1BSKP1SKP2F2
SCHEMBL18964485 0.88 MAP4K4 (0.42) MAP4K4CKS1BSKP1SKP2F2
SCHEMBL14022306 0.83 FPR2 (0.45) F2F10PRSS1FPR1FPR2
SCHEMBL2981427 0.83 MAP4K4 (0.46) MAP4K4CKS1BSKP1SKP2JAK3
SCHEMBL18964055 0.83 FPR2 (0.51) CKS1BSKP1SKP2F10FPR1
SCHEMBL30337880 0.83 FPR2 (0.51) CKS1BSKP1SKP2F10FPR1

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed