SCHEMBL3353764

SCHEMBL3353764

C#Cc1ccsc1-c1nc2ccnn2cc1C(=O)O.c1cc2ncc1-2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.31
ATR Q13535 1/20 0.31
DHODH Q02127 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
SCHEMBL3348230 0.88 ALDH1A1 (0.31)
SCHEMBL3347248 0.88 PIM1 (0.32) DHODH
SCHEMBL3351700 0.87 PIM1 (0.32)
SCHEMBL3348871 0.86 PIM1 (0.33)
SCHEMBL3347604 0.85 PIM1 (0.30)
SCHEMBL3353912 0.85 ALDH1A1 (0.31)
SCHEMBL3351413 0.78 DYRK1A (0.40)
SCHEMBL25331092 0.69 ALDH1A1 (0.44) DHODH
Hydrochloric Acid SCHEMBL5121050 0.68 BRD4 (0.34)
SCHEMBL3346218 0.65 DYRK1A (0.42)

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 1 patent. 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 disclosed