SCHEMBL6504254

SCHEMBL6504254

CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccc(CC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 2/20 0.44
MAP2K1 Q02750 2/20 0.44
P2RX3 P56373 3/20 0.42
TP53 P04637 1/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CA2 P00918 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
SYK P43405 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL5624185 0.96 MAP2K2 (0.47) MAP2K2MAP2K1P2RX3TP53JAK2
SCHEMBL6505710 0.89 MAP2K1 (0.57) MAP2K2MAP2K1TP53JAK2JAK1
SCHEMBL5624190 0.86 MAP2K2 (0.50) MAP2K2MAP2K1P2RX3TP53JAK2
SCHEMBL5623906 0.86 THRB (0.49) MAP2K2MAP2K1P2RX3TP53JAK2
SCHEMBL5622895 0.84 MAP2K1 (0.61) MAP2K2MAP2K1SYK
SCHEMBL5623989 0.84 MAP2K1 (0.49) MAP2K2MAP2K1TP53MAPTTHRB
SCHEMBL6497453 0.81 THRB (0.45) MAP2K2MAP2K1TP53JAK2JAK1
SCHEMBL6499106 0.81 MAP2K2 (0.46) MAP2K2MAP2K1P2RX3TP53JAK2
SCHEMBL5623815 0.79 MAP2K2 (0.42) MAP2K2MAP2K1P2RX3TP53JAK2
SCHEMBL6505308 0.79 MAP2K1 (0.47) MAP2K2MAP2K1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed