SCHEMBL30954490

SCHEMBL30954490

O=C1NCCn2c1c(Br)c1ncccc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PARP1 P09874 2/20 0.37

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
SCHEMBL27311286 1.00 PDE4A (0.40) PDE4ACDK5CDK5R1PARP1
SCHEMBL21292087 0.77 PDE4A (0.40) PDE4A
SCHEMBL27312317 0.77 P2RX7 (0.35) PARP1
SCHEMBL18330334 0.77 PDE4A (0.68) PDE4A
SCHEMBL30954516 0.76 CDK5 (0.41) PDE4ACDK5CDK5R1
SCHEMBL27312680 0.76 CDK5 (0.41) PDE4ACDK5CDK5R1
SCHEMBL21292085 0.75 PDE4A (0.63) PDE4A
SCHEMBL27312167 0.74 PDE4A (0.58) PDE4A
SCHEMBL18322296 0.73 PDE4A (0.69) PDE4A
SCHEMBL27312235 0.71 PDE4A (0.71) PDE4A

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
WO-2024118524-A1 AZAINDOLE COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS CEREVEL THERAPEUTICS, LLC (US) 2024-06-06 WO disclosed