SCHEMBL7474181

SCHEMBL7474181

O=[N+]([O-])c1cc2c(NCCc3ccccc3)ncnc2cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
EGFR P00533 4/20 0.55
HTT P42858 4/20 0.55
LMNA P02545 1/20 0.55
APP P05067 1/20 0.55
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
PIK3CD O00329 1/20 0.53
PIK3R1 P27986 1/20 0.53
CCNC P24863 1/20 0.52
CDKN1A P38936 1/20 0.52
CDK8 P49336 1/20 0.52
CDK19 Q9BWU1 1/20 0.52
FYN P06241 1/20 0.48
SRC P12931 1/20 0.48
NR2F2 P24468 1/20 0.47
CA1 P00915 1/20 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
SCHEMBL7471567 0.94 PIK3CD (0.62) MAPK1EGFRHTTLMNAAPP
SCHEMBL7469664 0.91 HTT (0.63) MAPK1EGFRHTTMAPTCNR1
SCHEMBL7462734 0.90 EGFR (0.55) MAPK1EGFRHTTLMNAAPP
SCHEMBL7528662 0.90 EGFR (0.52) MAPK1EGFRHTTLMNAAPP
SCHEMBL7469795 0.90 EGFR (0.60) MAPK1EGFRHTTLMNAAPP
SCHEMBL7474665 0.89 HTT (0.62) MAPK1EGFRHTTMAPTRAB9A
SCHEMBL7475626 0.89 HTT (0.52) MAPK1EGFRHTTNR2F2SMN1; SMN2
SCHEMBL7464363 0.89 HTT (0.54) MAPK1EGFRHTTCNR1CNR2
SCHEMBL7475194 0.89 EGFR (0.66) MAPK1EGFRHTTLMNARAB9A
SCHEMBL7470831 0.89 EGFR (0.53) MAPK1EGFRHTTMAPTCNR1

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