SCHEMBL28086933

SCHEMBL28086933

O=c1ccccn1-n1cccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
NEK2 P51955 1/20 0.33
MAP2K1 Q02750 1/20 0.33
BTK Q06187 1/20 0.33
TYRO3 Q06418 1/20 0.33
TNK2 Q07912 1/20 0.33
MAP4K2 Q12851 1/20 0.33
IKBKE Q14164 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL1191487 0.83 MEN1 (0.40) GSK3AGSK3BPOLBNPSR1ALOX15
SCHEMBL28099160 0.72 POLB (0.44) POLBNPSR1ALOX15ADORA3
SCHEMBL30452391 0.70 CYP3A4 (0.36) MAP2K1POLBNPSR1ALOX15ADORA3
SCHEMBL887884 0.67 POLB (0.30) POLBNPSR1
SCHEMBL7627710 0.67 POLB (0.35) POLBNPSR1ADORA3
SCHEMBL27865553 0.66 ALDH1A1 (0.42)
SCHEMBL27749294 0.65 BCHE (0.37)
SCHEMBL17906986 0.65 PRKDC (0.42) POLB
SCHEMBL9055973 0.65 SIGMAR1 (0.39) KDRPOLB
SCHEMBL15397914 0.64 ALDH1A1 (0.34) POLB

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
CN-103998442-B Heterocyclic compound and application thereof 无限药品股份有限公司 2016-09-14 CN disclosed