SCHEMBL21894063

SCHEMBL21894063

C=CC(=O)Nc1ccccc1Nc1nc(N)ncc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 20/20 0.72
MAPK1 P28482 1/20 0.63

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
SCHEMBL15937914 0.86 MAPK3 (0.72) MAPK3MAPK1
SCHEMBL19176569 0.86 MAPK3 (0.82) MAPK3MAPK1
SCHEMBL21894168 0.86 MAPK3 (0.70) MAPK3MAPK1
SCHEMBL21894187 0.84 MAPK3 (0.52) MAPK3MAPK1
SCHEMBL15938728 0.84 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL21894099 0.82 MAPK3 (0.64) MAPK3MAPK1
SCHEMBL17197240 0.82 BTK (0.69)
SCHEMBL18857633 0.82 MAPK3 (0.52) MAPK3
SCHEMBL21894709 0.81 MAPK3 (0.65) MAPK3MAPK1
SCHEMBL15938961 0.80 MAPK3 (1.00) 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