SCHEMBL9871483

SCHEMBL9871483

Cc1nnc(NCCc2ccccn2)c2cc3ccccn3c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.46
PDE4D Q08499 9/20 0.46
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PGK1 P00558 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
PKM P14618 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL9752615 0.86 PDE4B (0.47) PDE4BPDE4DCYP1A2RAB9ANPC1
SCHEMBL9752708 0.82 PDE4B (0.44) PDE4BPDE4DRAB9ANPC1
SCHEMBL9871984 0.81 PDE4B (0.43) PDE4BPDE4DRAB9ANPC1
Hydrochloric Acid SCHEMBL9752508 0.81 PDE4B (0.43) PDE4BPDE4DRAB9ANPC1
SCHEMBL9879251 0.80 PDE4B (0.42) PDE4BPDE4DRAB9ANPC1
SCHEMBL9752624 0.78 PDE4B (0.45) PDE4BPDE4D
SCHEMBL9870296 0.78 PDE4B (0.69) PDE4BPDE4DCYP1A2LMNA
SCHEMBL8576941 0.76 PDE4B (0.44) PDE4BPDE4D
SCHEMBL9752566 0.75 PDE4B (0.58) PDE4BPDE4DHRH3
SCHEMBL9752596 0.75 PDE4B (0.39) PDE4BPDE4DCYP1A2RAB9ANPC1

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-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed