SCHEMBL29448809

SCHEMBL29448809

CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C3CC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.46
MAPK14 Q16539 2/20 0.45
SERPINE1 P05121 1/20 0.43
KDM1A O60341 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAOB P27338 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KAT6A Q92794 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAF1 P04049 1/20 0.40
CREBBP Q92793 1/20 0.40
NAMPT P43490 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
SCHEMBL29448796 0.85 KMT2A (0.54) MAPK14RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL29286674 0.84 RAB9A (0.49) MAPK14RAB9AKMT2AMEN1MAOB
SCHEMBL29448759 0.84 RAB9A (0.49) MAPK14RAB9AKMT2AMEN1MAOB
SCHEMBL29448790 0.84 KCNK3 (0.51) MAPK14RAB9AKMT2AMEN1
SCHEMBL20577724 0.84 SERPINE1 (0.51) BRAFMAPK14SERPINE1KDM1ARAB9A
SCHEMBL29448768 0.81 KCNQ3 (0.47) MAPK14RAB9AKMT2AMEN1MAOB
SCHEMBL20577799 0.81 RAB9A (0.47) MAPK14RAB9AKMT2AMEN1KAT6A
SCHEMBL20578151 0.80 SMN1; SMN2 (0.52) BRAFMAPK14RAB9AKMT2AMEN1
SCHEMBL20578116 0.80 RAB9A (0.49) BRAFMAPK14RAB9AKMT2AMEN1
SCHEMBL17920283 0.80 PRKCI (0.48) BRAFPRMT5WDR77KAT6ACREBBP

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-3412670-B1 PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2022-03-09 EP disclosed