SCHEMBL3348249

SCHEMBL3348249

O=C(Nc1cccc(C#Cc2ccn3nccc3n2)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.64
PDGFRB P09619 7/20 0.64
GRM5 P41594 2/20 0.49
KCNK3 O14649 4/20 0.46
KCNK9 Q9NPC2 2/20 0.46
IKBKB O14920 2/20 0.45
KIT P10721 1/20 0.44
DDR1 Q08345 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL3346995 0.86 GRM5 (0.56) KDRPDGFRBGRM5IKBKBKDM4E
SCHEMBL17409474 0.78 KDR (1.00) KDRPDGFRBKIT
SCHEMBL3347519 0.77 GRM4 (0.46) GRM5KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL17424247 0.76 KDR (0.80) KDRPDGFRBGRM5KCNK3KCNK9
SCHEMBL3346980 0.73 GRM5 (0.49) KDRPDGFRBGRM5KDM4ELMNA
SCHEMBL3347295 0.73 GRM5 (0.48) GRM5
SCHEMBL3346805 0.73 DYRK1A (0.43) GRM5RAB9A
SCHEMBL2416002 0.73 KCNK3 (0.59) KDRPDGFRBKCNK3KCNK9POLB
SCHEMBL3348434 0.73 GRM5 (0.54) GRM5
SCHEMBL3347261 0.73 GRM5 (0.47) GRM5

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