SCHEMBL18948588

SCHEMBL18948588

CCc1ccc2c(c1)CCc1nc(C(C)(C)C)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
BRAF P15056 1/20 0.32
MAPT P10636 1/20 0.32
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL19388112 0.88 BRAF (0.32) BRAFMAPT
SCHEMBL2705896 0.83 SCN10A (0.36) BRAFMAPT
SCHEMBL12437141 0.82 TYMS (0.39) MAPK10BRAFMAPT
SCHEMBL15747146 0.82 TYMS (0.39) MAPK10RIPK1MAPTCDK5CDK5R1
SCHEMBL10119929 0.79 KDM4E (0.33) BRAF
SCHEMBL15113130 0.77 TYMS (0.44) MAPTCDK5
SCHEMBL15746227 0.77 MAPT (0.34) BRAFMAPT
SCHEMBL10141066 0.77 PARP10 (0.36) MAPTCDK5CDK5R1
SCHEMBL18467446 0.77 MAPK10 (0.34) MAPK10RIPK1MAPT
SCHEMBL19521613 0.75 NPSR1 (0.34) MAPT

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
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed