SCHEMBL20004624

SCHEMBL20004624

CC#Cc1cc2cc(N3CCOCC3)cnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SYK P43405 1/20 0.38
FGFR3 P22607 2/20 0.37
CHEK1 O14757 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
AKR1C3 P42330 1/20 0.36
FGFR2 P21802 1/20 0.36
MET P08581 1/20 0.35
MAP3K11 Q16584 1/20 0.35
KIT P10721 1/20 0.35
IGF1R P08069 2/20 0.35
TBK1 Q9UHD2 1/20 0.35
TNIK Q9UKE5 1/20 0.35
RIPK2 O43353 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL22537658 0.76 SNCA (0.48) MAPTPDE3BPDE3ASNCA
SCHEMBL20004625 0.76 SNCA (0.61) MAPTSYKSNCA
SCHEMBL20004718 0.75 SNCA (0.60) MAPTTP53MAPK1SYKCHEK1
SCHEMBL29900840 0.72 PIK3CA (0.49) SYKPDGFRBPDGFRAAKR1C3
SCHEMBL856151 0.70 PIK3CA (0.51) PDE3BPDE3AAKR1C3MAP3K11
SCHEMBL20504089 0.66 PIK3CA (0.48) MAPK1AKR1C3MAP3K11
SCHEMBL18892042 0.65 MAP4K1 (0.47) MAPK1MET
SCHEMBL26342497 0.64 MAPT (0.44) MAPTTP53MAPK1KDM4ELMNA
SCHEMBL29785003 0.64 AKR1C3 (0.40) MAPTFGFR3PDE3BPDE3AAKR1C3
SCHEMBL2280216 0.63 AKR1C3 (0.73) MAPTAKR1C3METIGF1RTNIK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed