SCHEMBL3348367

SCHEMBL3348367

C#Cc1ccsc1-c1cc(NC(C)(C)C)n2nccc2n1.c1ncc2cc1-2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.33
CCNE1 P24864 6/20 0.33
GSK3B P49841 1/20 0.31
CYP2A6 P11509 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) CDK2CCNE1GSK3BKCNN1KCNN2
SCHEMBL3346924 0.90 PDE2A (0.32) KCNN1KCNN2KCNN3
SCHEMBL3347657 0.90 CCNE1 (0.33) CDK2CCNE1
SCHEMBL3351303 0.89 KCNN1 (0.30) KCNN1KCNN2KCNN3
SCHEMBL3346750 0.88 PDE10A (0.32) KCNN1KCNN2KCNN3
SCHEMBL3351756 0.86 CCNE1 (0.34) CDK2CCNE1
SCHEMBL3346218 0.75 DYRK1A (0.42) CYP2A6
Hydrochloric Acid SCHEMBL5121050 0.67 BRD4 (0.34)
SCHEMBL3346532 0.67 CDK2 (0.38) CDK2CCNE1KCNN3
SCHEMBL7902940 0.67 PDE10A (0.35) CDK2CCNE1KCNN1KCNN2KCNN3

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