SCHEMBL7784789

SCHEMBL7784789

Cc1cc(I)ccc1Nc1c(C(=O)NCCCN(C)C)cc(Br)c(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCN2CCOCC2)cc(Br)c(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCN2CCOCC2)ccc(F)c1F.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 7/20 0.46
MAP2K1 Q02750 7/20 0.46
BCL3 P20749 5/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL7854395 0.90 TSHR (0.46) MAP2K2MAP2K1BCL3KMT2AALDH1A1
SCHEMBL7787380 0.84 MAP2K1 (0.45) MAP2K2MAP2K1KMT2AMEN1TDP1
SCHEMBL7941495 0.83 MAP2K1 (0.47) MAP2K2MAP2K1KMT2AMEN1TDP1
SCHEMBL6035427 0.83 MEN1 (0.48) MAP2K2MAP2K1BCL3KMT2AALDH1A1
SCHEMBL6035215 0.82 MAP2K2 (0.56) MAP2K2MAP2K1BCL3KMT2AALDH1A1
SCHEMBL6035287 0.80 BCL3 (0.59) BCL3KMT2ALMNAJAK1TYK2
SCHEMBL6035714 0.80 MEN1 (0.47) MAP2K2MAP2K1KMT2AALDH1A1MEN1
SCHEMBL7800494 0.79 MAP2K1 (0.50) MAP2K2MAP2K1KMT2AALDH1A1
SCHEMBL6035363 0.78 MAP2K1 (0.64) MAP2K2MAP2K1KMT2AMEN1TDP1
SCHEMBL7804383 0.78 KMT2A (0.46) MAP2K2MAP2K1BCL3KMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed