SCHEMBL3347209

SCHEMBL3347209

CC(C)(C)Nc1cc(-c2ccc(C#Cc3ccccc3Cl)s2)nc2ccnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 10/20 0.36
KCNN1 Q92952 2/20 0.34
KCNN2 Q9H2S1 2/20 0.34
DPP4 P27487 2/20 0.33
PDE10A Q9Y233 1/20 0.32
GRM5 P41594 2/20 0.32
CDK2 P24941 3/20 0.32
CCNE1 P24864 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK3 Q00526 1/20 0.32
CDK6 Q00534 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL3351751 0.89 CDK2 (0.38) KCNN3KCNN1KCNN2PDE10AGRM5
SCHEMBL3347564 0.89 GRM5 (0.33) KCNN3GRM5CDK2CCNE1CCNT1
SCHEMBL3346499 0.86 CDK2 (0.35) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL3351713 0.84 KCNN3 (0.38) KCNN3KCNN1KCNN2PDE10AGRM5
SCHEMBL3347648 0.83 GRM5 (0.33) KCNN3KCNN1KCNN2PDE10AGRM5
SCHEMBL3346746 0.83 KCNN1 (0.38) KCNN3KCNN1KCNN2PDE10AGRM5
SCHEMBL3346921 0.81 KCNN3 (0.37) KCNN3PDE10AGRM5CDK2CCNE1
SCHEMBL3345946 0.81 GRM5 (0.39) KCNN3PDE10AGRM5CDK2CCNE1
SCHEMBL3348362 0.81 CDK2 (0.39) GRM5CDK2CCNE1
SCHEMBL3345910 0.80 GRM5 (0.35) GRM5CDK2CCNE1CCNT1CDK1

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