SCHEMBL20008538

SCHEMBL20008538

CCCCc1cc(-c2cc(C)ccc2C)cc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
HTR6 P50406 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
TLR8 Q9NR97 1/20 0.39
NPY5R Q15761 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 4/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 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
SCHEMBL19529392 0.90 RAF1 (0.40) DRD2HTR6L3MBTL1MAPK1ATM
SCHEMBL20008460 0.88 RAF1 (0.41) DRD2HTR6L3MBTL1MAPK1ATM
SCHEMBL20008122 0.78 SMN1; SMN2 (0.46) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20008452 0.76 GALR2 (0.44) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20009117 0.74 RAF1 (0.40) L3MBTL1KDM4EGAAACHEALDH1A1
SCHEMBL20009100 0.74 NUDT1 (0.37) DRD2HTR6L3MBTL1MAPK1ATM
SCHEMBL20008237 0.72 HRH4 (0.47) RAF1
SCHEMBL20008457 0.72 L3MBTL1 (0.34) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20009412 0.72 RAF1 (0.40) L3MBTL1MAPK1ATMKDM4EGAA
SCHEMBL20009430 0.70 RAF1 (0.49) L3MBTL1MAPK1ATMKDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515446-B1 THERAPEUTIC COMBINATIONS COMPRISING A RAF INHIBITOR AND A ERK INHIBITOR NOVARTIS AG (CH) 2023-12-20 EP disclosed
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed