SCHEMBL30481232

SCHEMBL30481232

FC(F)(F)c1ccc2[nH]nc(Br)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 5/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ MAPK6 Q16659 3/20 0.56
▸ MAPKAPK3 Q16644 2/20 0.56
▸ MAPKAPK2 P49137 1/20 0.56
▸ FADS1 O60427 1/20 0.48
▸ KIF11 P52732 4/20 0.46
▸ TRPA1 O75762 4/20 0.44
▸ CHUK O15111 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL25241733 1.00 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL30481233 0.86 TRPA1 (0.55) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL25279396 0.86 TRPA1 (0.55) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2409215 0.80 MAP2K4 (0.58) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL14631813 0.79 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2662576 0.79 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL13122324 0.79 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL24076862 0.78 MAPT (0.47) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL10220250 0.76 MAP2K4 (0.54) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL29468189 0.76 ITK (0.46) MAP2K4MAPK1MAPK6FADS1KIF11

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-4452936-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 — — EP disclosed
WO-2023122782-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
Send feedback