SCHEMBL30359559

SCHEMBL30359559

COc1ccc(N2C3CC2CN(c2ccc(Br)cn2)C3)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.47
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
ACACB O00763 1/20 0.36
PDE10A Q9Y233 1/20 0.36
OXTR P30559 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
SCHEMBL22041916 1.00 RET (0.47) RETCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30877283 0.83 RET (0.49) RETCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20070844 0.81 RET (0.53) RET
SCHEMBL29483174 0.81 RET (0.53) RET
SCHEMBL29483113 0.79 RET (0.44) RET
SCHEMBL22041878 0.79 RET (0.44) RET
SCHEMBL20153225 0.78 CHRNB2 (0.52) RETCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22666884 0.75 ACACB (0.44) ACACBPDE10A
SCHEMBL23555019 0.75 CHRNB2 (0.49) RETCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22811911 0.75 CHRNB2 (0.49) RETCHRNB2CHRNA4CHRNB4CHRNA3

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-111285886-B Substituted pyrazolo [1,5-a ] pyridine compounds, compositions comprising the same and uses thereof 深圳市塔吉瑞生物医药有限公司 2023-04-11 CN disclosed