SCHEMBL19255752

SCHEMBL19255752

Nc1nc(-c2n[nH]c3c(F)cccc23)ncc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
FLT3 P36888 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
KDR P35968 2/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK5 Q00535 1/20 0.34
ACVR1 Q04771 1/20 0.34
TNK2 Q07912 1/20 0.34
AURKB Q96GD4 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MAP4K1 Q92918 4/20 0.33
GUCY1B2 O75343 1/20 0.32

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
SCHEMBL19255555 0.82
SCHEMBL19255693 0.81 EGFR (0.31) SGK1EGFR
SCHEMBL9977719 0.80 ATR (0.34) CDK5SGK1PDPK1
SCHEMBL19255178 0.78 MAPK1 (0.31)
SCHEMBL19249799 0.76 TTK (0.36) CHEK1FLT3PLK3KDRMAP4K4
SCHEMBL786302 0.75 CHEK1 (0.60) CHEK1FLT3PLK3KDRMAP4K4
SCHEMBL9977698 0.72 PIK3CG (0.35) FLT3KDR
SCHEMBL19250804 0.70 NOS3 (0.33)
SCHEMBL19250682 0.70 SGK1 (0.33) SGK1
SCHEMBL19244048 0.69

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-2017133670-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed