SCHEMBL20157193

SCHEMBL20157193

C[C@H]1CN(c2nccc3cc[nH]c23)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ROCK2 O75116 2/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
PRKCI P41743 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
HTR2C P28335 2/20 0.37
PRKD1 Q15139 2/20 0.36
PRKD2 Q9BZL6 2/20 0.36
ROCK1 Q13464 1/20 0.35
JAK3 P52333 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HDAC1 Q13547 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL20157192 1.00 KIT (0.42) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL20140662 0.81 ROCK2 (0.50) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL20140658 0.81 ROCK2 (0.50) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL31651868 0.80 HTR2C (0.56) ROCK2HRH4HTR2CROCK1
SCHEMBL6637498 0.80 HTR2C (0.56) ROCK2HRH4HTR2CROCK1
SCHEMBL6273585 0.78 KIT (0.47) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL6281370 0.77 HTR2C (0.65) KITPRKCQPRKCDHRH4HTR2C
SCHEMBL6271843 0.77 HTR2C (0.65) KITPRKCQPRKCDHRH4HTR2C
SCHEMBL3683893 0.76 HTR2C (0.47) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL20156942 0.75 ALDH1A1 (0.40) PRKCQPRKCDHRH4HTR2C

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed