SCHEMBL6187589

SCHEMBL6187589

CCc1ccc(Nc2c(C(=O)NNCC=N)ccc(F)c2F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.45
MAP2K2 P36507 10/20 0.45
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 0.43
MAPK1 P28482 2/20 0.41
BRAF P15056 1/20 0.41
MAP2K5 Q13163 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL6190456 0.84 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL6187974 0.82 MAP2K1 (0.53) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL5989634 0.80 MAP2K1 (0.66) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6187595 0.78 MAP2K1 (0.42) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL6319695 0.78 MAP2K1 (0.50) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL5989889 0.76 MAP2K1 (0.75) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL6188534 0.76 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL5992019 0.75 MAP2K1 (0.54) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL6313978 0.74 MAP2K1 (0.45) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL6315452 0.74 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BMAPK1

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-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO disclosed