SCHEMBL3347598

SCHEMBL3347598

Fc1cc(C#Cc2ccn3nccc3n2)cc(-c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.58
CYP11B1 P15538 3/20 0.34
DYRK1A Q13627 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP11B2 P19099 2/20 0.34
CYP17A1 P05093 1/20 0.34
PDE10A Q9Y233 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL3351280 0.88 GRM5 (0.47) GRM5CYP11B1DYRK1ACYP17A1
SCHEMBL3346505 0.86 GRM5 (0.55) GRM5DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL3346922 0.82 GRM5 (0.39) GRM5DYRK1ACYP11B2
SCHEMBL3345958 0.80 GRM5 (0.52) GRM5CYP1A2CYP3A4CYP2A6
SCHEMBL3347563 0.80 GRM5 (0.36) GRM5DYRK1A
SCHEMBL3347568 0.78 GRM5 (0.38) GRM5
SCHEMBL3347295 0.78 GRM5 (0.48) GRM5DYRK1A
SCHEMBL3346877 0.76 GRM5 (0.52) GRM5DYRK1A
SCHEMBL3346603 0.76 GRM5 (0.41) GRM5DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL3347789 0.73 GRM5 (0.49) GRM5DYRK1AALDH1A1CYP1A2CYP3A4

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