SCHEMBL22423099

SCHEMBL22423099

Cc1nc2c(c(CN=O)nn2C(C)c2ccc(C(F)(F)F)cc2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 20/20 0.64
▸ PDE9A O76083 1/20 0.56

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
SCHEMBL20156701 1.00 PDE2A (0.64) PDE2APDE9A
SCHEMBL18282942 0.91 PDE2A (0.76) PDE2APDE9A
SCHEMBL20150789 0.89 PDE2A (0.66) PDE2APDE9A
SCHEMBL20150774 0.89 PDE2A (0.66) PDE2APDE9A
SCHEMBL20150788 0.89 PDE2A (0.66) PDE2APDE9A
SCHEMBL18282691 0.89 PDE2A (0.58) PDE2APDE9A
SCHEMBL18283311 0.88 PDE2A (0.80) PDE2A
SCHEMBL18282985 0.88 PDE2A (0.67) PDE2APDE9A
SCHEMBL18282946 0.88 PDE2A (0.80) PDE2A
SCHEMBL18282724 0.88 PDE2A (0.64) PDE2APDE9A

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
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
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