SCHEMBL6996240

SCHEMBL6996240

N#Cc1cnc2c([N+](=O)[O-])cccc2c1Nc1ccc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 17/20 0.57
▸ PRKCD Q05655 8/20 0.57
▸ LYN P07948 1/20 0.57
▸ LRRK2 Q5S007 1/20 0.48
▸ EGFR P00533 2/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ PRKCH P24723 1/20 0.44
▸ PRKCE Q02156 1/20 0.44

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
SCHEMBL6999682 0.84 PRKCQ (0.61) PRKCQPRKCDLYNEGFRPRKCH
SCHEMBL6387025 0.82 EGFR (0.47) LRRK2EGFRERBB2
SCHEMBL6383564 0.82 EGFR (0.47) LRRK2EGFRERBB2
SCHEMBL6386483 0.82 SRC (0.52) LRRK2EGFRERBB2
SCHEMBL6383797 0.81 EGFR (0.53) LRRK2EGFRERBB2
SCHEMBL6384817 0.81 EGFR (0.54) PRKCQLRRK2EGFRERBB2
SCHEMBL6384857 0.81 EGFR (0.52) LRRK2EGFRERBB2
SCHEMBL6385354 0.81 EGFR (0.50) LRRK2EGFRERBB2
SCHEMBL6386476 0.81 EGFR (0.54) PRKCQLRRK2EGFRERBB2
SCHEMBL6383939 0.81 EGFR (0.57) EGFRERBB2

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 — — EP claimed
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