SCHEMBL28313689

SCHEMBL28313689

CN(C)CC(=O)NC1(Cc2ccccn2)CCN(OC(=O)C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.47
SMO Q99835 1/20 0.37
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL20137489 0.84 RET (0.47) RETGPR119
SCHEMBL28315073 0.82 RET (0.39) RETCHRM2CHRM4CHRM5CHRM1
SCHEMBL20069623 0.82 RET (0.49) RETSMOCHRM2CHRM4CHRM5
SCHEMBL20158526 0.81 RET (0.48) RETSMOGAA
SCHEMBL20070610 0.78 RET (0.44) RETSMOCHRM2CHRM4CHRM5
SCHEMBL27684009 0.77 GAA (0.38) GAAL3MBTL1SMN1; SMN2GPR119
Tert-Butyl Formate SCHEMBL28875723 0.76 RET (0.41) RETCHRM2CHRM4CHRM5CHRM1
SCHEMBL27666299 0.72 KDM4E (0.55) L3MBTL1SMN1; SMN2
SCHEMBL21651955 0.71 RET (0.49) RETGAAL3MBTL1
SCHEMBL28328445 0.71 POLB (0.50) GAAL3MBTL1SMN1; SMN2

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
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed