SCHEMBL21894099

SCHEMBL21894099

C=CC(=O)Nc1ccccc1Nc1nc(N)ncc1Cl

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 19/20 0.64
MAPK1 P28482 4/20 0.61
MAP2K1 Q02750 2/20 0.61
MAP3K7 O43318 1/20 0.57
FGFR1 P11362 1/20 0.57
SRC P12931 1/20 0.57

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
SCHEMBL15938232 0.88 MAPK3 (0.66) MAPK3MAPK1MAP2K1MAP3K7FGFR1
SCHEMBL21894054 0.85 MAPK3 (0.70) MAPK3MAPK1MAP2K1MAP3K7FGFR1
SCHEMBL21894063 0.82 MAPK3 (0.72) MAPK3MAPK1
SCHEMBL15938580 0.79 MAPK3 (0.66) MAPK3MAPK1MAP2K1MAP3K7FGFR1
SCHEMBL15938499 0.78 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15946673 0.77 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15938421 0.77 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15938424 0.77 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15938827 0.77 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL17616270 0.77 MAPK3 (0.84) MAPK3MAPK1

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
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed