SCHEMBL4547046

SCHEMBL4547046

C=S(=O)(Nc1ccc(F)c(-c2n[nH]cc2-c2ccncc2)c1F)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.34
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
MAP2K4 P45985 1/20 0.31
GCGR P47871 1/20 0.30
MAPK14 Q16539 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
SCHEMBL1848750 0.90 BRAF (0.42) BRAFCKS1BSKP2MAP2K4
SCHEMBL1846650 0.85 CKS1B (0.46) BRAFCKS1BSKP2MAP2K4
SCHEMBL1852972 0.79 SLC22A12 (0.42) BRAF
SCHEMBL1848477 0.78 BRAF (0.40) BRAF
SCHEMBL1846750 0.77 BRAF (0.40) BRAF
SCHEMBL1847876 0.77 BRAF (0.55) BRAF
SCHEMBL1847624 0.76 CYP2C9 (0.42) BRAF
SCHEMBL1849216 0.75 BRAF (0.42) BRAFCKS1BSKP2
SCHEMBL1848024 0.74 BRAF (0.42) BRAF
SCHEMBL1848453 0.69 IMPDH2 (0.35) GCGRMAPK14

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-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed