SCHEMBL22994852

SCHEMBL22994852

COC(=O)c1cnc(Nc2cc([N+](=O)[O-])c(N(C)CC3CCCN3C)cc2OC)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.62
▸ KCNH2 Q12809 2/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ ALK Q9UM73 1/20 0.42

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
SCHEMBL17385147 0.88 EGFR (0.76) EGFR
SCHEMBL29423851 0.88 EGFR (0.76) EGFR
SCHEMBL17384850 0.88 EGFR (0.76) EGFR
SCHEMBL17385146 0.88 EGFR (0.76) EGFR
SCHEMBL19103313 0.88 EGFR (0.55) EGFR
SCHEMBL17384788 0.86 EGFR (0.62) EGFRKCNH2IGF1R
SCHEMBL22994862 0.86 EGFR (0.54) EGFRKCNH2IGF1RALK
SCHEMBL19493296 0.84 EGFR (0.70) EGFR
SCHEMBL17384828 0.84 EGFR (0.70) EGFRKCNH2
SCHEMBL19103348 0.83 EGFR (0.78) EGFR

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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