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Sugi Predict / Compounds / SCHEMBL7787380

SCHEMBL7787380

SCHEMBL7787380

Cc1cc(I)ccc1Nc1c(C(=O)NCCCO)ccc(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCN2CCCC2)cc(Br)c(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCN2CCCCC2)cc(Br)c(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCO)ccc(F)c1F.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 19/20 0.45
▸ MAP2K2 P36507 11/20 0.45
▸ BRAF P15056 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K5 Q13163 1/20 0.40
▸ PRKCZ Q05513 1/20 0.37
▸ IARS2 Q9NSE4 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7941495 0.98 MAP2K1 (0.47) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7804315 0.92 MAP2K1 (0.41) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7784839 0.90 MAP2K1 (0.36) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7784837 0.89 MAP2K1 (0.36) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7784789 0.84 MAP2K2 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7794552 0.82 MAP2K1 (0.39) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7943564 0.82 MAP2K1 (0.45) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6035421 0.80 MEN1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6036026 0.80 MEN1 (0.48) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7787211 0.79 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 — — WO disclosed