SCHEMBL20140653

SCHEMBL20140653

C[C@H]1CN(c2cccc3cnn(C)c23)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.41
PIM2 Q9P1W9 5/20 0.41
PIM3 Q86V86 3/20 0.41
ACKR3 P25106 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
ROCK2 O75116 1/20 0.40
FLT3 P36888 1/20 0.40
CAMK2D Q13557 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PRKCQ Q04759 4/20 0.37
PRKCD Q05655 2/20 0.37
KHK P50053 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
PRKD3 O94806 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
SCHEMBL20140655 1.00 PIM1 (0.41) PIM1PIM2PIM3ACKR3MKNK1
SCHEMBL17889308 0.80 KHK (0.40) PIM1PIM2PIM3ALDH1A1LMNA
SCHEMBL20141437 0.75 HTR1A (0.44) PIM1PIM2PIM3ROCK2ALDH1A1
SCHEMBL20141435 0.75 HTR1A (0.44) PIM1PIM2PIM3ROCK2ALDH1A1
SCHEMBL4244446 0.75 HTR6 (0.61) ALDH1A1LMNAPRKCQPRKCDKHK
SCHEMBL4247868 0.75 HTR6 (0.61) ALDH1A1LMNAPRKCQPRKCDKHK
SCHEMBL4244450 0.75 HTR6 (0.61) ALDH1A1LMNAPRKCQPRKCDKHK
SCHEMBL14146963 0.74 PRKCQ (0.59) PIM1PIM2ALDH1A1LMNAPRKCQ
SCHEMBL23602033 0.73 HTR2A (0.65) ROCK2ALDH1A1LMNAPRKCQPRKCD
SCHEMBL4243080 0.71 HTR2C (0.58) HTR2C

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