SCHEMBL3347657

SCHEMBL3347657

C#Cc1ccsc1-c1cc(NC(C)(C)C)n2nccc2n1.c1cc2ncc1-2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.33
CDK2 P24941 6/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
BRD4 O60885 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
SCHEMBL3348367 0.90 CDK2 (0.33) CCNE1CDK2
SCHEMBL3346502 0.89 CDK2 (0.36) CCNE1CDK2CCNT1CDK9
SCHEMBL3346924 0.88 PDE2A (0.32)
SCHEMBL3351303 0.88 KCNN1 (0.30)
SCHEMBL3346750 0.87 PDE10A (0.32)
SCHEMBL3351756 0.87 CCNE1 (0.34) CCNE1CDK2CCNT1CDK9
Hydrochloric Acid SCHEMBL5121050 0.78 BRD4 (0.34) BRD4
SCHEMBL3351413 0.74 DYRK1A (0.40)
SCHEMBL5122429 0.67 KDM4E (0.32)
SCHEMBL3346532 0.66 CDK2 (0.38) CCNE1CDK2CCNT1CDK9

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