SCHEMBL27583296

SCHEMBL27583296

Cc1cc(I)ccc1Nc1c(F)cccc1C(=O)NCCO

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.61
MAP2K2 P36507 5/20 0.61
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
PTGS2 P35354 1/20 0.42
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
GPR52 Q9Y2T5 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6438484 0.87 MAP2K1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6036443 0.87 MAP2K1 (0.81) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6951788 0.86 MAP2K2 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL27469368 0.86 MEN1 (0.51) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL27508573 0.85 MEN1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL27563907 0.85 SMN1; SMN2 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6694982 0.82 MAP2K1 (0.53) MAP2K1MAP2K2JAK1TYK2PTGS2
SCHEMBL6035920 0.82 MAP2K1 (0.55) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL27560000 0.82 MAP2K1 (0.64) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7715687 0.81 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1

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
CN-1383823-A Methods of treating or inhibiting neutrophil chemotaxis by administering MEK inhibitors WARNER LAMBERT CO (US) 2002-12-11 CN claimed
CN-1373660-A Method for treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN claimed
CN-1383823-A Methods of treating or inhibiting neutrophil chemotaxis by administering MEK inhibitors WARNER LAMBERT CO (US) 2002-12-11 CN disclosed