SCHEMBL21416840

SCHEMBL21416840

CNc1cccc(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.55
KDR P35968 4/20 0.55
JAK3 P52333 4/20 0.55
MAPK14 Q16539 4/20 0.55
TEK Q02763 3/20 0.46
KIT P10721 3/20 0.44
SRC P12931 3/20 0.44
MAP3K5 Q99683 1/20 0.44
BRAF P15056 1/20 0.43
MAPT P10636 1/20 0.42
EGFR P00533 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.40
PDGFRA P16234 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL17803857 0.81 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL5488838 0.80 MAP4K4 (0.61) LCKKDRJAK3MAPK14KIT
SCHEMBL2741576 0.80 LCK (0.65) LCKKDRJAK3MAPK14KIT
SCHEMBL12575968 0.78 SRC (0.61) LCKKDRJAK3MAPK14SRC
SCHEMBL42089 0.76 LCK (0.73) LCKKDRJAK3MAPK14TEK
SCHEMBL5494272 0.75 LCK (0.58) LCKKDRJAK3MAPK14KIT
SCHEMBL14568173 0.75 LCK (0.76) LCKKDRJAK3MAPK14TEK
SCHEMBL24335889 0.75 PIK3CA (0.55) LCKKDRJAK3MAPK14MAPT
SCHEMBL5496333 0.73 LCK (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL5498066 0.73 LCK (0.59) LCKKDRJAK3MAPK14TEK

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-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed