SCHEMBL16258323

SCHEMBL16258323

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)c(C=O)nc2CC)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.69
▸ MAP3K7 O43318 7/20 0.57
▸ MAP2K1 Q02750 6/20 0.56
▸ MAPK1 P28482 5/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ FGFR1 P11362 3/20 0.52
▸ SRC P12931 3/20 0.52
▸ CTSC P53634 1/20 0.51
▸ JAK2 O60674 1/20 0.49
▸ BLK P51451 1/20 0.49
▸ BMX P51813 1/20 0.49
▸ JAK3 P52333 1/20 0.49

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
SCHEMBL16207032 0.90 EGFR (0.85) EGFRMAP3K7MAP2K1MAPK1FLT3
SCHEMBL16207000 0.82 EGFR (0.87) EGFRMAP3K7MAP2K1MAPK1FLT3
SCHEMBL16195490 0.81 EGFR (1.00) EGFRMAP3K7MAP2K1MAPK1FLT3
SCHEMBL15134667 0.81 EGFR (0.85) EGFRMAP3K7MAP2K1MAPK1FLT3
SCHEMBL18251088 0.81 EGFR (0.71) EGFRCTSCJAK2BLKBMX
SCHEMBL16207131 0.80 EGFR (0.84) EGFRMAP3K7MAP2K1MAPK1FLT3
SCHEMBL15134639 0.79 EGFR (0.70) EGFRFLT3
SCHEMBL16207126 0.79 EGFR (0.76) EGFRMAP3K7MAP2K1MAPK1FLT3
SCHEMBL15134771 0.77 EGFR (0.82) EGFRFLT3CTSCJAK2BLK
SCHEMBL16258194 0.77 EGFR (0.49) EGFRMAPK1

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-2805940-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 — — EP disclosed
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