SCHEMBL4544235

SCHEMBL4544235

CCc1ccc(Nc2c(C(=O)O)cn3ccnc3c2F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.46
MAP2K2 P36507 4/20 0.46
KDM4E B2RXH2 1/20 0.38
METAP2 P50579 2/20 0.38
AURKA O14965 1/20 0.37
TNFRSF1A P19438 1/20 0.37
KDR P35968 1/20 0.37
MAP3K9 P80192 1/20 0.37
DHODH Q02127 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
IDO1 P14902 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL3969037 0.91 MAP2K1 (0.43) MAP2K1MAP2K2HDAC1HDAC6SYK
SCHEMBL3971570 0.87 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL3975542 0.86 MAP2K1 (0.49) MAP2K1MAP2K2KDM4EDHODH
SCHEMBL3969033 0.84 MAP2K1 (0.45) MAP2K1MAP2K2KDM4EDHODHIDO1
SCHEMBL1488520 0.84 MAP2K1 (0.59) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL1488560 0.84 MAP2K1 (0.60) MAP2K1MAP2K2KDM4E
SCHEMBL29413590 0.84 MAP2K1 (0.60) MAP2K1MAP2K2KDM4E
SCHEMBL3971457 0.78 CSF1R (0.43) MAP2K1MAP2K2KDM4EHDAC6SYK
SCHEMBL3979835 0.78 MAP2K1 (0.50) MAP2K1KDM4E
SCHEMBL3974178 0.78 MAP2K1 (0.47) MAP2K1MAP2K2DHODHSYK

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-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed