SCHEMBL11832837

SCHEMBL11832837

Nc1nn2c(-c3ccc([N+](=O)[O-])o3)cnc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37

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
SCHEMBL11832826 0.72 CHEK1 (0.49) FYNCHEK1AURKADAPK3JAK2
SCHEMBL1997012 0.67 MGAM (0.53) FYNCHEK1AURKADAPK3JAK2
SCHEMBL11826941 0.66 MMP2 (0.41) FYNCHEK1AURKADAPK3JAK2
SCHEMBL11826221 0.66 CHEK1 (0.37) FYNCHEK1AURKADAPK3JAK2
SCHEMBL3344653 0.65 MAPT (0.53) FYNCHEK1AURKADAPK3JAK2
SCHEMBL29448938 0.65 PKM (0.44) FYNCHEK1AURKADAPK3JAK2
SCHEMBL11833908 0.63 MMP2 (0.42) FYNCHEK1AURKADAPK3JAK2
SCHEMBL25028187 0.62 MMP2 (0.46) FYNCHEK1AURKADAPK3JAK2
SCHEMBL3293364 0.62 MMP2 (0.46) FYNCHEK1AURKADAPK3JAK2
SCHEMBL11825948 0.62 BRD4 (0.47) FYNCHEK1AURKADAPK3JAK2

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
US-3957766-A BACTERIOSTATS, BACTERICIDES BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-05-18 — — US disclosed
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