SCHEMBL3347564

SCHEMBL3347564

CC(C)(C)Nc1cc(-c2ccc(C#Cc3ccccc3F)s2)nc2ccnn12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCNA2 P20248 2/20 0.32
CCND1 P24385 2/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
CCNA1 P78396 2/20 0.32
CDK3 Q00526 2/20 0.32
PDE2A O00408 1/20 0.32
CDK6 Q00534 1/20 0.32
IKBKB O14920 1/20 0.31
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
SCHEMBL3351751 0.89 CDK2 (0.38) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3347209 0.89 KCNN3 (0.36) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3346499 0.86 CDK2 (0.35) CCNE1CDK2CCNT1CDK9CDK1
SCHEMBL3345910 0.84 GRM5 (0.35) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3347648 0.83 GRM5 (0.33) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3346746 0.83 KCNN1 (0.38) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3345946 0.81 GRM5 (0.39) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3348362 0.81 CDK2 (0.39) GRM5CCNE1CDK2
SCHEMBL3346921 0.81 KCNN3 (0.37) GRM5CCNE1CDK2CCNT1CDK9
SCHEMBL3351713 0.80 KCNN3 (0.38) GRM5CCNE1CDK2CCNT1CDK9

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