SCHEMBL8900475

SCHEMBL8900475

COc1cccc(Nc2nc(Cl)nc3ccc(Br)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
ABCG2 Q9UNQ0 9/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ABCB1 P08183 4/20 0.53
PDE5A O76074 1/20 0.53
FBP1 P09467 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
RET P07949 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL8899361 0.86 ABCG2 (0.67) EGFRABCG2MEN1KMT2AABCB1
SCHEMBL3117695 0.86 ABCG2 (0.71) EGFRABCG2MEN1KMT2AABCB1
Hydrochloric Acid SCHEMBL8901559 0.85 ABCG2 (0.65) EGFRABCG2MEN1KMT2AABCB1
SCHEMBL6039347 0.83 EGFR (0.65) EGFRABCG2MEN1KMT2AKDR
SCHEMBL6668347 0.81 FBP1 (0.76) EGFRABCG2MEN1KMT2AABCB1
SCHEMBL18292473 0.80 EGFR (0.84) EGFRABCG2MEN1KMT2AFBP1
SCHEMBL26565406 0.78 PRNP (0.56) MEN1KMT2A
SCHEMBL8891806 0.77 EGFR (0.64) EGFRABCG2MEN1KMT2AABCB1
SCHEMBL20119696 0.77 TTBK1 (0.51) EGFRABCG2MEN1KMT2AABCB1
SCHEMBL18895189 0.76 KDM4E (0.65) EGFRABCG2MEN1KMT2APDE5A

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed