SCHEMBL20197170

SCHEMBL20197170

CC(C)Nc1cc(P)ccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK10 P53779 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
FDPS P14324 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
HCAR3 P49019 1/20 0.36
PROKR1 Q8TCW9 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
SCHEMBL29851369 0.78 FDPS (0.59) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL828257 0.78 FDPS (0.59) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL20197172 0.76 MAPK14 (0.42) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL15102638 0.76 MAPK14 (0.42) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL26547688 0.76 MAPK14 (0.42) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL23066110 0.76 MAPK14 (0.47) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL26686513 0.76 SMN1; SMN2 (0.45) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL12356613 0.76 MAPK14 (0.42) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL17131640 0.76 MAPK14 (0.52) MAPK14MAPK10HRH4
SCHEMBL24815412 0.74 HRH4 (0.44) MAPK14MAPK10HRH4FDPSTRPM8

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
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed