SCHEMBL9834161

SCHEMBL9834161

CCn1ncc2c(Cl)c(C(=O)c3ccc(C)cc3)cnc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.60
NR3C1 P04150 9/20 0.60
PGR P06401 1/20 0.60
PDE5A O76074 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9835287 0.91 NR3C1 (0.67) PDE4BNR3C1PGR
SCHEMBL9836172 0.89 NR3C1 (0.55) PDE4BNR3C1PGRPDE5A
SCHEMBL9835965 0.89 NR3C1 (0.60) PDE4BNR3C1PGRPDE5A
SCHEMBL9835355 0.87 PDE4B (0.55) PDE4BNR3C1PGRPDE5AMAPT
SCHEMBL10755398 0.86 PDE4B (0.47) PDE4BNR3C1PGRPDE5AMEN1
SCHEMBL9834731 0.86 NR3C1 (0.55) PDE4BNR3C1PGRMAPT
SCHEMBL9835196 0.86 NR3C1 (0.67) PDE4BNR3C1PGRPDE5AHPGD
SCHEMBL9833982 0.82 NR3C1 (0.57) PDE4BNR3C1PGRPDE5A
SCHEMBL9834976 0.82 NR3C1 (0.67) PDE4BNR3C1PGRPDE5AMEN1
SCHEMBL9833383 0.81 NR3C1 (0.55) PDE4BNR3C1PGRPDE5A

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
EP-0230016-B1 6H-Isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-11 EP disclosed
US-4624955-A 6H-isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, method for their preparation and use as anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS (US) 1986-11-25 US disclosed