SCHEMBL17675436

SCHEMBL17675436

COc1cc2ncnc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.57
EGFR P00533 2/20 0.57
F2 P00734 1/20 0.52
KDR P35968 9/20 0.52
CSF1R P07333 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PDGFRB P09619 2/20 0.50
FLT4 P35916 2/20 0.50
PDGFRA P16234 2/20 0.48
ATM Q13315 1/20 0.48
KIT P10721 1/20 0.47
MET P08581 2/20 0.47

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
SCHEMBL17675210 0.88 BTK (0.67) BTKEGFRF2KDRPDGFRA
SCHEMBL17675474 0.86 BTK (0.60) BTKEGFRF2KDRCSF1R
SCHEMBL17675311 0.83 BTK (0.66) BTKEGFRF2KDRALDH1A1
SCHEMBL17683838 0.81 EGFR (0.72) BTKEGFRF2KDRCSF1R
SCHEMBL17683840 0.81 BTK (0.79) BTKEGFRF2KDRCSF1R
SCHEMBL17675478 0.80 BTK (0.60) BTKEGFRF2KDRPDGFRA
SCHEMBL17675501 0.79 BTK (0.57) BTKEGFRF2KDRPDGFRA
SCHEMBL2749120 0.78 ALDH1A1 (0.69) F2ALDH1A1LMNA
SCHEMBL28689268 0.78 KDR (0.53) EGFRKDRCSF1RPDGFRBFLT4
SCHEMBL29385363 0.77 KDR (0.51) EGFRKDRCSF1RALDH1A1PDGFRB

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
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed