SCHEMBL20008460

SCHEMBL20008460

Cc1ccc(C)c(-c2cc(CCCO)nc(N3CCCC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.41
DRD2 P14416 1/20 0.39
HTR6 P50406 1/20 0.39
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 2/20 0.37
AR P10275 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
BRAF P15056 4/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 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
SCHEMBL19529392 0.99 RAF1 (0.40) RAF1DRD2HTR6MAPK1L3MBTL1
SCHEMBL20008538 0.88 DRD2 (0.49) RAF1DRD2HTR6MAPK1L3MBTL1
SCHEMBL20008122 0.75 SMN1; SMN2 (0.46) RAF1MAPK1L3MBTL1ATMKMT2A
SCHEMBL20008452 0.73 GALR2 (0.44) MAPK1L3MBTL1ATMKMT2ASMN1; SMN2
SCHEMBL20009412 0.72 RAF1 (0.40) RAF1MAPK1L3MBTL1ATMKMT2A
SCHEMBL20009430 0.70 RAF1 (0.49) RAF1MAPK1L3MBTL1ATMKMT2A
SCHEMBL20009117 0.70 RAF1 (0.40) RAF1L3MBTL1BRAFKDM4EGAA
SCHEMBL20008237 0.70 HRH4 (0.47) RAF1BRAFMAPK14
SCHEMBL20008457 0.68 L3MBTL1 (0.34) RAF1MAPK1L3MBTL1ATMKMT2A
SCHEMBL20010376 0.67 AR (0.53) RAF1KMT2AARSMN1; SMN2BRAF

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