SCHEMBL7461530

SCHEMBL7461530

O=[N+]([O-])c1cc2c(NCCc3ccccn3)ncnc2cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.56
EGFR P00533 4/20 0.53
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7470683 0.89 KDM4E (0.61) PKMEGFRMAPTLMNAALDH1A1
SCHEMBL7474181 0.86 MAPK1 (0.56) EGFRMAPTLMNAHTTSMN1; SMN2
SCHEMBL7469700 0.85 EGFR (0.54) EGFRMAPTLMNAHTTALDH1A1
SCHEMBL8825813 0.85 PKM (0.56) PKMEGFRMAPTLMNAHTT
SCHEMBL7528662 0.83 EGFR (0.52) EGFRMAPTLMNAHTTSMN1; SMN2
SCHEMBL7457697 0.83 EGFR (0.62) EGFRMAPTSMN1; SMN2
SCHEMBL7474806 0.82 EGFR (0.52) EGFRMAPTHTTALDH1A1KDM4E
SCHEMBL7471567 0.82 PIK3CD (0.62) EGFRMAPTLMNAHTTRAB9A
SCHEMBL7469664 0.82 HTT (0.63) EGFRMAPTHTTPIK3CDPIK3R1
SCHEMBL7467125 0.82 EGFR (0.51) EGFRMAPTLMNAHTTALDH1A1

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed