SCHEMBL2113605

SCHEMBL2113605

Brc1cnc2[nH]ncc2c1.Clc1c(Br)cnc2[nH]ncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.37
NOS1 P29475 2/20 0.37
METAP2 P50579 2/20 0.37
CSNK2A1 P68400 1/20 0.37
MKNK1 Q9BUB5 2/20 0.35
MAPK1 P28482 1/20 0.35
CHEK1 O14757 3/20 0.35
CHEK2 O96017 1/20 0.35
RET P07949 3/20 0.34
LRRK2 Q5S007 3/20 0.34
DYRK1B Q9Y463 3/20 0.34
AURKA O14965 3/20 0.34
XDH P47989 2/20 0.34
DAPK3 O43293 2/20 0.34
JAK2 O60674 2/20 0.34
MAP4K4 O95819 2/20 0.34
PAK4 O96013 2/20 0.34
ABL1 P00519 2/20 0.34
FGFR1 P11362 2/20 0.34
PDGFRA P16234 2/20 0.34

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
SCHEMBL2113624 0.87 XDH (0.42) NOS1MKNK1MAPK1CHEK1CHEK2
SCHEMBL10329 0.82 DYRK1A (0.50) DYRK1ANOS1METAP2CSNK2A1MKNK1
SCHEMBL29487975 0.70 DYRK1A (0.39) DYRK1ANOS1METAP2CSNK2A1MAPK1
SCHEMBL15577658 0.68 NOS1 (0.53) DYRK1ANOS1METAP2CSNK2A1MKNK1
SCHEMBL20176622 0.68 XDH (0.44) NOS1MKNK1MAPK1CHEK1RET
SCHEMBL9940746 0.67 NOS1 (0.55) DYRK1ANOS1METAP2CSNK2A1MAPK1
SCHEMBL31555833 0.65 PLK4 (0.41) DYRK1ANOS1METAP2CSNK2A1CHEK1
SCHEMBL16537147 0.65 DYRK1B (0.44) DYRK1ACSNK2A1CHEK1RETLRRK2
SCHEMBL21856831 0.64 AXL (0.41) DYRK1ANOS1METAP2CSNK2A1CHEK1
SCHEMBL20674185 0.63 FGFR1 (0.40) DYRK1ACSNK2A1MAPK1CHEK1RET

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
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed