SCHEMBL29631255

SCHEMBL29631255

N#Cc1cnn2cc(OCCN3CCC4(CC3)CC(=O)N4)ccc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 18/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD1 P21728 2/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ DRD3 P35462 2/20 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
SCHEMBL31044800 0.82 HRH3 (0.47) RETDRD2DRD1DRD4HTR2A
SCHEMBL29631451 0.81 JAK2 (0.41) RET
SCHEMBL29759418 0.79 MAP2K1 (0.51) RET
SCHEMBL30725883 0.73 RET (0.36) RETDRD2DRD1DRD4HTR2A
SCHEMBL30175296 0.72 RET (0.45) RET
SCHEMBL30175349 0.72 CYP11B1 (0.41) RETDRD2DRD1DRD4HTR2A
SCHEMBL30175294 0.72 RET (0.43) RETDRD2DRD1DRD4HTR2A
SCHEMBL30175367 0.71 RET (0.48) RET
SCHEMBL30175281 0.70 RET (0.41) RET
SCHEMBL25252185 0.69 CDK2 (0.36) RETDRD2DRD1DRD4HTR2A

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-2021115457-A9 PYRAZOLO[1,5-A]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳众格生物科技有限公司 2022-05-19 — — WO disclosed
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