SCHEMBL20145448

SCHEMBL20145448

Nc1nccnc1-c1ccc(C(=O)NC2C[C@@H]2c2ccccc2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.67
DYRK1A Q13627 2/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
WNT1 P04628 1/20 0.43
EPHX2 P34913 1/20 0.43
TNK2 Q07912 1/20 0.42
BTK Q06187 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL16679963 0.86 MAPK1 (0.73) MAPK1
SCHEMBL16679154 0.81 MAPK1 (0.72) MAPK1
SCHEMBL16679532 0.81 MAPK1 (0.72) MAPK1
SCHEMBL16679138 0.81 MAPK1 (0.72) MAPK1
SCHEMBL16681263 0.81 MAPK1 (1.00) MAPK1
SCHEMBL16679604 0.81 MAPK1 (1.00) MAPK1
SCHEMBL16680328 0.81 MAPK1 (1.00) MAPK1
SCHEMBL16680477 0.81 MAPK1 (1.00) MAPK1
SCHEMBL16680479 0.81 MAPK1 (1.00) MAPK1
SCHEMBL16679954 0.80 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