SCHEMBL20080239

SCHEMBL20080239

CNc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(CCO)CC5)cc4OC)nc32)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.69
▸ FLT3 P36888 3/20 0.69
▸ BLK P51451 2/20 0.69
▸ TNK2 Q07912 1/20 0.55
▸ JAK3 P52333 1/20 0.54
▸ ALK Q9UM73 4/20 0.54
▸ INSR P06213 1/20 0.54
▸ IGF1R P08069 1/20 0.54
▸ PLK1 P53350 1/20 0.53

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
SCHEMBL18294441 0.90 EGFR (0.86) EGFRFLT3BLKJAK3
SCHEMBL29572941 0.90 EGFR (0.86) EGFRFLT3BLKJAK3
SCHEMBL20080224 0.88 EGFR (0.70) EGFRFLT3BLKJAK3ALK
SCHEMBL20080201 0.85 EGFR (0.64) EGFRFLT3BLKALKINSR
SCHEMBL20080150 0.85 EGFR (0.68) EGFRFLT3BLKJAK3
SCHEMBL16680603 0.81 EGFR (1.00) EGFRFLT3BLKJAK3
SCHEMBL30192805 0.81 EGFR (1.00) EGFRFLT3BLKJAK3
SCHEMBL20080148 0.80 FLT3 (0.63) EGFRFLT3BLKJAK3
SCHEMBL18294436 0.79 EGFR (0.87) EGFRFLT3BLKJAK3ALK
SCHEMBL30353489 0.79 EGFR (0.87) EGFRFLT3BLKJAK3ALK

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-3312180-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR East China University Of Science And Technology (CN) 2018-04-25 — — EP disclosed
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