SCHEMBL20145602

SCHEMBL20145602

COC(=O)NCC(NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 1.00

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
SCHEMBL16690845 1.00 MAPK1 (1.00) MAPK1
SCHEMBL16690963 0.93 MAPK1 (0.88) MAPK1
SCHEMBL16681223 0.93 MAPK1 (1.00) MAPK1
SCHEMBL16681222 0.93 MAPK1 (1.00) MAPK1
SCHEMBL16679921 0.92 MAPK1 (0.88) MAPK1
SCHEMBL16690844 0.92 MAPK1 (1.00) MAPK1
SCHEMBL16679089 0.92 MAPK1 (1.00) MAPK1
SCHEMBL16679087 0.92 MAPK1 (1.00) MAPK1
SCHEMBL16679049 0.90 MAPK1 (1.00) MAPK1
SCHEMBL16679048 0.90 MAPK1 (1.00) MAPK1

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-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed