SCHEMBL6035217

SCHEMBL6035217

COc1cc(I)ccc1Nc1c(C(=O)O)ccc(F)c1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.73
MAP2K2 P36507 15/20 0.73
PIM1 P11309 1/20 0.51
CAMK2B Q13554 1/20 0.51
RAF1 P04049 1/20 0.48
PDGFRB P09619 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
AURKC Q9UQB9 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
BRAF P15056 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP2K5 Q13163 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL188505 0.84 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL30505247 0.84 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL29413559 0.84 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL29425477 0.84 MAP2K1 (0.78) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4851710 0.84 MAP2K1 (0.78) MAP2K1MAP2K2PIM1CAMK2B
Hydrochloric Acid SCHEMBL30080174 0.83 MAP2K1 (0.97) MAP2K1MAP2K2PIM1CAMK2BBRAF
Zapnometinib SCHEMBL1488782 0.81 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BRAF1
Zapnometinib SCHEMBL29362260 0.81 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BRAF1
Zapnometinib SCHEMBL30298104 0.81 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BRAF1
SCHEMBL28884401 0.79 MAP2K1 (0.88) MAP2K1MAP2K2PIM1CAMK2BBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP disclosed
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP disclosed
EP-1140062-B1 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER LAMBERT CO (US) 2005-04-06 EP disclosed