SCHEMBL4698770

SCHEMBL4698770

CCC[C@H](NC1CC(c2ccccc2)C1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 6/20 0.40
MAPK8 P45983 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ACR P10323 1/20 0.38
MAPK14 Q16539 2/20 0.37
CHEK1 O14757 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
TYRO3 Q06418 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AURKB Q96GD4 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
SCHEMBL4697001 0.91 MAPK8 (0.43) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4697067 0.86 PSEN1 (0.47) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4700050 0.85 KDM5B (0.36) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4700674 0.83 KDM5B (0.39) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4751605 0.83 MAPK8 (0.41) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4755672 0.82 PSEN1 (0.51) KDM5BMAPK8
SCHEMBL4756625 0.81 PSEN1 (0.45) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4697999 0.81 PSEN1 (0.47) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4698276 0.81 PSEN1 (0.45) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4700824 0.80 ACE (0.42) KDM5BMAPK8ADORA3ADORA2AADORA2B

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-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed