SCHEMBL9752624

SCHEMBL9752624

Cc1nnc(NCCCCN(C)C)c2cc3ccccn3c12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.45
PDE4D Q08499 12/20 0.45
TOP2A P11388 2/20 0.42
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL9870800 0.98 PDE4B (0.45) PDE4BPDE4DTOP2AKDM4EKMT2A
SCHEMBL9879251 0.93 PDE4B (0.42) PDE4BPDE4DTOP2A
SCHEMBL8576941 0.87 PDE4B (0.44) PDE4BPDE4DTOP2A
SCHEMBL9752708 0.83 PDE4B (0.44) PDE4BPDE4DKMT2A
SCHEMBL9871473 0.83 PDE4B (0.55) PDE4BPDE4D
Hydrochloric Acid SCHEMBL9752508 0.82 PDE4B (0.43) PDE4BPDE4DKMT2A
SCHEMBL9871070 0.82 PDE4B (0.57) PDE4BPDE4D
SCHEMBL9752566 0.81 PDE4B (0.58) PDE4BPDE4D
SCHEMBL9752783 0.81 PDE4B (0.49) PDE4BPDE4D
SCHEMBL9870196 0.81 PDE4B (0.56) PDE4BPDE4DKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991010664-A1 PYRIDAZINO[4,5-b]INDOLIZINES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-25 WO claimed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed