SCHEMBL8688105

SCHEMBL8688105

CC(Br)c1ccnc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.55
AXL P30530 1/20 0.50
CIT O14578 3/20 0.48
ROCK1 Q13464 3/20 0.45
AURKB Q96GD4 3/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
PRKACA P17612 2/20 0.45
CSNK1A1 P48729 2/20 0.45
CDK9 P50750 2/20 0.45
PRKCQ Q04759 2/20 0.45
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
DAPK3 O43293 1/20 0.45
PAK4 O96013 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45

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
SCHEMBL84365 0.85 PRKCI (0.53) PRKCIAXLCITROCK1AURKB
SCHEMBL8687438 0.82 CIT (0.59) PRKCIAXLCITROCK1AURKB
SCHEMBL31541393 0.82 PRKCI (0.50) PRKCIAXLCITROCK1AURKB
SCHEMBL31541422 0.82 PRKCI (0.55) PRKCIAXLCITROCK1AURKB
SCHEMBL23021726 0.82 PRKCI (0.50) PRKCIAXLCITROCK1AURKB
SCHEMBL24492983 0.82 PRKCI (0.50) PRKCIAXLCITROCK1AURKB
SCHEMBL31541439 0.82 PRKCI (0.50) PRKCIAXLCITROCK1AURKB
SCHEMBL1439912 0.81 PRKCI (0.50) PRKCIAXLCITROCK1AURKB
SCHEMBL23004035 0.79 PRKCI (0.47) PRKCIAXLCITROCK1AURKB
SCHEMBL28326907 0.78 PRKCI (0.53) PRKCIAXLCITROCK1AURKB

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
US-5714495-A ANXIOLYTIC AGENTS, MELATONIN RECEPTORS FOR TREATING PSYCHOLOGICAL DISORDERS AND ANALGESICS, SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-02-03 US disclosed