SCHEMBL6845265

SCHEMBL6845265

CONc1cc(Nc2ccc(C(C)N)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
MAPKAPK2 P49137 1/20 0.40
KDR P35968 1/20 0.39
SCN9A Q15858 2/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
FGFR2 P21802 1/20 0.37
ROCK1 Q13464 2/20 0.36
ACVRL1 P37023 2/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK10 P53779 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 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
SCHEMBL6845268 0.83 ROCK2 (0.42) ROCK2MAPKAPK2ROCK1ACVRL1MGLL
SCHEMBL988281 0.80 ROCK2 (0.61) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL7872530 0.77 ROCK2 (0.44) ROCK2KDRMEN1KMT2AMAPK10
SCHEMBL3559320 0.72 RAB9A (0.50) ROCK2MAPKAPK2KDRROCK1KMT2A
SCHEMBL26186620 0.69 MAPK10 (0.43) KDRMEN1KMT2AMAPK10MAPT
SCHEMBL6845264 0.69 RAB9A (0.51) ROCK2KDRROCK1MEN1KMT2A
SCHEMBL29137730 0.69 ROCK2 (0.40) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL6845277 0.66 ROCK2 (0.44) ROCK2MAPKAPK2KDRROCK1MEN1
SCHEMBL22159079 0.66 ALDH1A1 (0.57) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28318549 0.66 ALDH1A1 (0.52) ROCK2KDRROCK1NPC1ALDH1A1

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
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed