SCHEMBL3346724

SCHEMBL3346724

Cc1nc(C#Cc2ccc(-c3ccn4nccc4n3)s2)cs1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
DYRK1A Q13627 1/20 0.40

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
SCHEMBL3346494 0.84 DYRK1A (0.38) DYRK1A
SCHEMBL3348904 0.83 TGFBR1 (0.46) GRM5CYP1A2CYP2D6DYRK1A
SCHEMBL3352946 0.81 DYRK1A (0.40) DYRK1A
SCHEMBL3351404 0.80 DYRK1A (0.42) GRM5CYP1A2DYRK1A
SCHEMBL3347287 0.80 DYRK1A (0.44) GRM5DYRK1A
SCHEMBL3347616 0.80 DYRK1A (0.40) CYP1A2CYP2D6DYRK1A
SCHEMBL3346984 0.79 DYRK1A (0.41) GRM5DYRK1A
SCHEMBL3347239 0.78 DYRK1A (0.45) GRM5DYRK1A
SCHEMBL3346913 0.77 DYRK1A (0.42) GRM5DYRK1A
SCHEMBL3346211 0.77 DYRK1A (0.41) GRM5CYP1A2CYP2D6DYRK1A

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