SCHEMBL7943564

SCHEMBL7943564

Cc1cc(I)ccc1Nc1c(C(=O)NCCCO)ccc(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCN2CCCC2)cc(Br)c(F)c1F.Cc1cc(I)ccc1Nc1c(C(=O)NCCc2ccncc2)cc(Br)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.45
MAP2K2 P36507 10/20 0.45
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.36
CAMK2B Q13554 1/20 0.36
BRAF P15056 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K5 Q13163 1/20 0.35
MCHR1 Q99705 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL7804315 0.91 MAP2K1 (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035248 0.84 TDP1 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6036026 0.84 MEN1 (0.48) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035421 0.83 MEN1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035304 0.82 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035749 0.82 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7787380 0.82 MAP2K1 (0.45) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035261 0.80 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL28748333 0.80 MAP2K1 (0.52) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7941495 0.79 MAP2K1 (0.47) 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
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-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed