SCHEMBL22510201

SCHEMBL22510201

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL22994862 0.94 EGFR (0.54) EGFRKCNH2IGF1RFLT3MKNK1
SCHEMBL22510191 0.90 EGFR (0.49) EGFRKCNH2IGF1RMAPK8MAPK9
SCHEMBL22510227 0.88 EGFR (0.53) EGFRKCNH2IGF1RMAPK8MAPK9
SCHEMBL17384788 0.87 EGFR (0.62) EGFRKCNH2IGF1R
SCHEMBL22510215 0.85 EGFR (0.59) EGFRKCNH2IGF1R
SCHEMBL17373135 0.84 EGFR (0.59) EGFRKCNH2IGF1R
SCHEMBL22994878 0.83 EGFR (0.52) EGFRKCNH2IGF1RFLT3MKNK1
SCHEMBL17384789 0.83 EGFR (0.52) EGFRKCNH2IGF1RFLT3MKNK1
SCHEMBL22994975 0.83 EGFR (0.57) EGFRKCNH2IGF1R
SCHEMBL22510163 0.82 EGFR (0.52) 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 2 patents. 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
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 — — EP disclosed
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