SCHEMBL22994856

SCHEMBL22994856

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ ERBB2 P04626 1/20 0.43
▸ ERBB3 P21860 1/20 0.43
▸ ERBB4 Q15303 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
SCHEMBL17384788 0.91 EGFR (0.62) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL22510212 0.90 EGFR (0.47) EGFRKCNH2IGF1R
SCHEMBL17683180 0.88 EGFR (0.61) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL19325652 0.87 EGFR (0.55) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL17384765 0.87 EGFR (0.62) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL22994862 0.87 EGFR (0.54) EGFRKCNH2IGF1R
SCHEMBL17373135 0.85 EGFR (0.59) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL22994975 0.84 EGFR (0.57) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL22510215 0.84 EGFR (0.59) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL22510199 0.83 EGFR (0.56) EGFRKCNH2IGF1RERBB2ERBB3

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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