SCHEMBL20069134

SCHEMBL20069134

COc1cnc(OC2CCN(C)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.43
MET P08581 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
LRRK2 Q5S007 1/20 0.39
NSD2 O96028 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15648405 0.87 TDO2 (0.42) TDO2METHRH3GPR119LRRK2
SCHEMBL20147961 0.82 CHRNB2 (0.40) PDGFRBPDGFRA
SCHEMBL20147451 0.82 HRH3 (0.52) HRH3GPR119
SCHEMBL20158635 0.82 HRH3 (0.46) PDGFRBPDGFRAHRH3GPR119
SCHEMBL14634616 0.82 GPR119 (0.45) GPR119
SCHEMBL14634615 0.82 GPR119 (0.45) GPR119
SCHEMBL20069570 0.81 CHRM4 (0.53) HRH3TGFBR1ACVR1SMN1; SMN2RAB9A
SCHEMBL20158603 0.81 TDO2 (0.48) TDO2HRH3TGFBR1ACVR1SMN1; SMN2
SCHEMBL20069575 0.81 HTR1D (0.47) TDO2HRH3HTR1DHTR1BHTR1F
SCHEMBL8302494 0.78 NAAA (0.55)

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed