SCHEMBL30209342

SCHEMBL30209342

Cc1ncc2c(C)nn(C(C)c3ccc(C4CC4)nc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 6/20 0.42
▸ PDE2A O00408 3/20 0.39
▸ IDH1 O75874 1/20 0.35
▸ USP1 O94782 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DGKZ Q13574 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ CDK13 Q14004 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31

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
SCHEMBL31548661 0.75 PDE2A (0.63) PDE9APDE2A
SCHEMBL20339535 0.75 PDE2A (0.63) PDE9APDE2A
SCHEMBL23991845 0.70 PDE2A (0.76) PDE9APDE2A
SCHEMBL12197739 0.67 CHRNA7 (0.46) PDE9AIDH1KMT2ACDK13CDK12
SCHEMBL30598725 0.66 PDE9A (0.41) PDE9APDE2AIDH1USP1
SCHEMBL28618180 0.65 NOTUM (0.38) PDE9AIDH1CDK13CDK12
SCHEMBL22092394 0.65 NOTUM (0.38) PDE9AIDH1KMT2ACDK13CDK12
SCHEMBL28618177 0.65 NOTUM (0.38) PDE9AIDH1CDK13CDK12
SCHEMBL24774146 0.65 NOTUM (0.38) PDE9AIDH1KMT2ADGKZCDK13
SCHEMBL21984790 0.64 PDE9A (0.49) PDE9ADGKZ

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
CN-110337437-B Substituted pyrazolopyrimidinones as PDE2 inhibitors 达特神经科学有限公司 2023-02-03 — — CN disclosed
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