SCHEMBL23458147

SCHEMBL23458147

Nc1cccc(C(=O)Cc2ccnc(Cl)n2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMO O15229 1/20 0.32
GRM4 Q14833 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CRBN Q96SW2 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL23458145 0.87 PARP1 (0.38) RAB9APARP1
SCHEMBL31443297 0.85 RAB9A (0.33) RAB9ANPC1KMOTP53MAPT
SCHEMBL31264104 0.84 MRGPRX4 (0.33) RAB9ANPC1KMOTP53MAPT
SCHEMBL2254723 0.82 TRPV1 (0.40) RAB9ANPC1TRPV1KMT2A
SCHEMBL31111624 0.82 KMT2A (0.32) RAB9AMAPTTRPV1KMT2A
SCHEMBL9987868 0.81 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL3884176 0.81 TRPV1 (0.36) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL30605929 0.80 MEN1 (0.37) RAB9ANPC1TRPV1KMT2A
SCHEMBL26134079 0.80 MEN1 (0.37) RAB9ANPC1TRPV1KMT2A
SCHEMBL24761235 0.79 ERCC5 (0.47) RAB9ANPC1MAPTKMT2A

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-4069692-A1 N-(3-(5-(PYRIMIDIN-4-YL)THIAZOL-4-YL)PHENYL)SULFONAMIDE COMPOUNDS AND THEIR USES AS BRAF INHIBITORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-10-12 EP disclosed
WO-2021110997-A1 N-(3-(5-(PYRIMIDIN-4-YL)THIAZOL-4-YL)PHENYL)SULFONAMIDE COMPOUNDS AND THEIR USES AS BRAF INHIBITORS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-06-10 WO disclosed