SCHEMBL21557232

SCHEMBL21557232

N/C(=C\C(=C(/N)c1cccc(C(F)(F)F)c1)c1ccnc(NCc2ccccc2)n1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.43
MAPK13 O15264 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
VCP P55072 2/20 0.39
DCUN1D1 Q96GG9 1/20 0.36
IGF1R P08069 1/20 0.36
APP P05067 1/20 0.36
LMNA P02545 1/20 0.36
HTR6 P50406 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIK3CG P48736 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL10051691 0.73 VNN1 (0.61) VNN1LMNAAURKA
SCHEMBL21381217 0.65 VNN1 (0.74) VNN1
SCHEMBL2715356 0.62 AURKA (0.52) IGF1RLMNAAURKARPS6KB1AURKB
SCHEMBL20185754 0.61 VNN1 (1.00) VNN1
SCHEMBL10051487 0.61 VNN1 (0.47) VNN1MAPK14APPAURKAPIP4K2A
SCHEMBL6173735 0.61 MAPK14 (0.81) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL6171671 0.61 MAPK14 (0.85) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL4583051 0.61 IDH1 (0.44) MAPK14IGF1RAPP
SCHEMBL5093362 0.60 VNN1 (0.55) VNN1AURKARPS6KB1AURKBPIK3CG
SCHEMBL7418491 0.60 HSD11B1 (0.56) LMNA

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
EP-3081568-B1 COMPOSITIONS AND METHODS FOR TREATING ALZHEIMER'S DISEASE EIP PHARMA LLC (US) 2019-11-13 EP disclosed