SCHEMBL13420992

SCHEMBL13420992

COC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OC(C)C1C=CN=CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.33
TYRO3 Q06418 3/20 0.33
MERTK Q12866 2/20 0.33
AXL P30530 1/20 0.33
FGFR1 P11362 1/20 0.31
SCN9A Q15858 3/20 0.31
ULK1 O75385 1/20 0.31
JAK2 O60674 4/20 0.31
JAK1 P23458 4/20 0.31
TYK2 P29597 4/20 0.31
JAK3 P52333 3/20 0.31
SCN5A Q14524 1/20 0.31
KCNN3 Q9UGI6 1/20 0.30
SYK P43405 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL13420855 0.90 SYK (0.34) EGFRTYRO3MERTKAXLFGFR1
SCHEMBL3451285 0.85 AXL (0.37) EGFRTYRO3MERTKAXLULK1
SCHEMBL3376401 0.84 CSNK2A1 (0.36) EGFRSCN9ASCN5AKCNN3SYK
SCHEMBL3449151 0.82 P2RX3 (0.40) EGFRJAK2JAK1TYK2JAK3
SCHEMBL3379025 0.82 SYK (0.38) EGFRMERTKAXLSYK
SCHEMBL13312597 0.82 SYK (0.38) EGFRKCNN3SYK
SCHEMBL3376905 0.81 EGFR (0.39) EGFRTYRO3MERTKAXLSCN9A
SCHEMBL3450642 0.80 EGFR (0.38) EGFRFGFR1JAK2JAK1TYK2
SCHEMBL3449007 0.80 EGFR (0.41) EGFRTYRO3MERTKAXLFGFR1
SCHEMBL13421626 0.79 EGFR (0.33) EGFRAXLFGFR1SCN9AULK1

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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed