SCHEMBL3351756

SCHEMBL3351756

C#Cc1ccsc1-c1cc(NC(C)(C)C)n2nccc2n1.Cc1ccc2cc1-2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
CDK1 P06493 3/20 0.34
CDK4 P11802 3/20 0.34
CCNA2 P20248 3/20 0.34
CCND1 P24385 3/20 0.34
CDK7 P50613 3/20 0.34
CCNH P51946 3/20 0.34
CCNA1 P78396 3/20 0.34
CDK3 Q00526 3/20 0.34
CDK6 Q00534 2/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL3346924 0.88 PDE2A (0.32)
SCHEMBL3347657 0.87 CCNE1 (0.33) CCNE1CDK2CCNT1CDK9
SCHEMBL3346502 0.87 CDK2 (0.36) CCNE1CDK2CCNT1CDK9CDK1
SCHEMBL3351303 0.86 KCNN1 (0.30)
SCHEMBL3348367 0.86 CDK2 (0.33) CCNE1CDK2
SCHEMBL3346750 0.86 PDE10A (0.32)
SCHEMBL3346989 0.78 DYRK1A (0.39)
SCHEMBL3347071 0.67 CYP2A6 (0.32) CCNE1CDK2CCNT1CDK9CDK1
SCHEMBL3353912 0.67 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL5121050 0.66 BRD4 (0.34)

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