SCHEMBL21894084

SCHEMBL21894084

C=CC(=O)Nc1ccccc1Nc1nc(Nc2cc(C(=O)Nc3ccc(NC(=O)C=C)c(Nc4nc(Nc5ccc(N(CC)C(C)=O)cc5C(F)(F)F)ncc4Cl)c3)ccc2C)ncc1Cl

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 19/20 0.79
KIT P10721 1/20 0.53
PDGFRA P16234 1/20 0.53
KDR P35968 1/20 0.53

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
SCHEMBL15938336 0.89 MAPK3 (1.00) MAPK3
SCHEMBL15938436 0.81 MAPK3 (0.81) MAPK3
SCHEMBL15938730 0.80 MAPK3 (1.00) MAPK3
SCHEMBL15938329 0.80 MAPK3 (0.84) MAPK3
SCHEMBL17102729 0.79 MAPK3 (0.80) MAPK3
SCHEMBL15938084 0.79 MAPK3 (0.72) MAPK3
SCHEMBL15948641 0.78 MAPK3 (0.79) MAPK3
SCHEMBL15948505 0.78 MAPK3 (0.92) MAPK3
SCHEMBL17102733 0.78 MAPK3 (0.78) MAPK3
SCHEMBL15948515 0.77 MAPK3 (1.00) MAPK3

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