SCHEMBL22994862

SCHEMBL22994862

COC(=O)c1cnc(Nc2cc([N+](=O)[O-])c(N(C)C)cc2OC)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.54
▸ KCNH2 Q12809 2/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ FLT3 P36888 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ ALK Q9UM73 1/20 0.43
▸ PLK1 P53350 1/20 0.43

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
SCHEMBL22510201 0.94 EGFR (0.51) EGFRKCNH2IGF1RFLT3MKNK1
SCHEMBL17384788 0.91 EGFR (0.62) EGFRKCNH2IGF1R
SCHEMBL17384789 0.89 EGFR (0.52) EGFRKCNH2IGF1RFLT3MKNK1
SCHEMBL22994878 0.89 EGFR (0.52) EGFRKCNH2IGF1RFLT3MKNK1
SCHEMBL22510163 0.87 EGFR (0.52) EGFRKCNH2IGF1R
SCHEMBL22994856 0.87 EGFR (0.52) EGFRKCNH2IGF1R
SCHEMBL22994874 0.86 EGFR (0.57) EGFRKCNH2IGF1RALKPLK1
SCHEMBL22994852 0.86 EGFR (0.62) EGFRKCNH2IGF1RALK
SCHEMBL17373135 0.86 EGFR (0.59) EGFRKCNH2IGF1R
SCHEMBL22510215 0.84 EGFR (0.59) EGFRKCNH2IGF1R

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-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 — — EP disclosed
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