SCHEMBL20145625

SCHEMBL20145625

Cc1cc(-c2cc(Br)cnc2N)ccc1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.53
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.44
MAP4K4 O95819 1/20 0.44
APEX1 P27695 1/20 0.43
NPC1 O15118 1/20 0.43
ROCK1 Q13464 2/20 0.42
ROCK2 O75116 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL20145569 0.83 PDGFRB (0.50) MAPK1MEN1HCRTR1KMT2APOLB
SCHEMBL20145650 0.83 MAPK1 (0.71) MAPK1
SCHEMBL16679914 0.81 MAPK1 (0.71) MAPK1
SCHEMBL16679910 0.81 MAPK1 (0.71) MAPK1
SCHEMBL20145464 0.75 MAPK1 (0.73) MAPK1
SCHEMBL20145784 0.75 MAPK1 (0.73) MAPK1
SCHEMBL20145583 0.75 MAPK1 (0.73) MAPK1
SCHEMBL18112983 0.74 MKNK1 (0.49) MAP4K4
SCHEMBL20145561 0.74 MAPK1 (0.72) MAPK1
SCHEMBL20145579 0.74 MAPK1 (0.73) 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