SCHEMBL20009409

SCHEMBL20009409

Cc1ncccc1-c1cc(N2CCCCC2)nc(N2CC(O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.45
BRAF P15056 17/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.40

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
SCHEMBL15730626 0.74 CNR2 (0.64) KDM4ECNR2
SCHEMBL20008328 0.70 CNR2 (0.48) RAF1BRAFKDM4EALDH1A1HPGD
SCHEMBL22562132 0.68 CNR2 (0.46) KDM4EALDH1A1TDP1CNR2
SCHEMBL15275375 0.64 GAA (0.50) KDM4EALDH1A1MAPK1TDP1CNR2
SCHEMBL15730742 0.63 MKNK1 (0.50) ALDH1A1
SCHEMBL23299891 0.63 KMT2A (0.50) RAF1BRAFKDM4EALDH1A1HPGD
SCHEMBL14861520 0.62 PRKD3 (0.45) RAF1BRAFKDM4EALDH1A1NPSR1
SCHEMBL2294733 0.62 GRIN2B (0.55) KDM4EALDH1A1
SCHEMBL30937159 0.62 GRIN2B (0.55) KDM4EALDH1A1
SCHEMBL15730143 0.62 PKM (0.57) KDM4EALDH1A1NPSR1USP2LMNA

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed