SCHEMBL22423069

SCHEMBL22423069

Cc1nc2c(c(C)nn2C(C)c2ccc3c(c2)OC(F)(F)O3)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 18/20 0.48
▸ MTOR P42345 1/20 0.39
▸ RICTOR Q6R327 1/20 0.39
▸ RPTOR Q8N122 1/20 0.39
▸ MAPKAP1 Q9BPZ7 1/20 0.39
▸ MLST8 Q9BVC4 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39

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
SCHEMBL18282780 0.88 PDE2A (0.52) PDE2A
SCHEMBL18282777 0.88 PDE2A (0.52) PDE2A
SCHEMBL18282897 0.88 PDE2A (0.52) PDE2A
SCHEMBL18283205 0.76 PDE2A (0.77) PDE2A
SCHEMBL18282864 0.76 PDE2A (0.77) PDE2A
SCHEMBL18282863 0.76 PDE2A (0.77) PDE2A
SCHEMBL22422969 0.75 PDE2A (0.57) PDE2A
SCHEMBL31548661 0.70 PDE2A (0.63) PDE2A
SCHEMBL20339535 0.70 PDE2A (0.63) PDE2A
SCHEMBL20150715 0.69 PDE2A (0.48) PDE2ACDK4CCND1

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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