SCHEMBL3346924

SCHEMBL3346924

C#Cc1ccsc1-c1cc(NC(C)(C)C)n2nccc2n1.Cc1cc2cc-2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 2/20 0.31
S100A4 P26447 1/20 0.31
RAD52 P43351 1/20 0.31
KCNN1 Q92952 1/20 0.30
KCNN2 Q9H2S1 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30

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
SCHEMBL3346502 0.91 CDK2 (0.36) S100A4RAD52KCNN1KCNN2KCNN3
SCHEMBL3348367 0.90 CDK2 (0.33) KCNN1KCNN2KCNN3
SCHEMBL3351303 0.89 KCNN1 (0.30) KCNN1KCNN2KCNN3
SCHEMBL3346750 0.88 PDE10A (0.32) PDE10AKCNN1KCNN2KCNN3
SCHEMBL3351756 0.88 CCNE1 (0.34)
SCHEMBL3347657 0.88 CCNE1 (0.33)
SCHEMBL3346918 0.77 DYRK1A (0.41) S100A4RAD52
SCHEMBL3347071 0.67 CYP2A6 (0.32) PDE10AKCNN1KCNN2KCNN3
SCHEMBL3346532 0.67 CDK2 (0.38) PDE10AKCNN3
SCHEMBL7902940 0.67 PDE10A (0.35) PDE10AKCNN1KCNN2KCNN3

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed