SCHEMBL20145571

SCHEMBL20145571

C=C(N[C@H](CO)c1ccccc1)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1F

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.83

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
SCHEMBL20145820 0.91 MAPK1 (0.84) MAPK1
SCHEMBL16680195 0.91 MAPK1 (1.00) MAPK1
SCHEMBL16680193 0.91 MAPK1 (1.00) MAPK1
SCHEMBL16680075 0.83 MAPK1 (1.00) MAPK1
SCHEMBL16680072 0.83 MAPK1 (1.00) MAPK1
SCHEMBL16679651 0.82 MAPK1 (1.00) MAPK1
SCHEMBL16679649 0.82 MAPK1 (1.00) MAPK1
SCHEMBL16679223 0.82 MAPK1 (1.00) MAPK1
SCHEMBL16679225 0.82 MAPK1 (1.00) MAPK1
SCHEMBL16679222 0.82 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