SCHEMBL2906009

SCHEMBL2906009

COc1ccc(Nc2ccc3ncc(C(=O)O)n3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.51
KCNH2 Q12809 1/20 0.47
GRM5 P41594 1/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
MKNK1 Q9BUB5 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ABCB11 O95342 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL1202638 0.87 RAB9A (0.50) FYNRAB9AGAAALDH1A1MAPT
SCHEMBL1202366 0.84 DYRK3 (0.49) FYNKCNH2GRM5RAB9AGAA
SCHEMBL1203613 0.84 CLK1 (0.48) FYNKCNH2GRM5RAB9AGAA
SCHEMBL2905619 0.84 KCNH2 (0.47) FYNKCNH2GRM5MKNK1HDAC6
SCHEMBL1203600 0.82 FYN (0.59) FYNRAB9AMKNK1NPC1KMT2A
SCHEMBL1202473 0.82 KDM4E (0.51) FYNRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2899262 0.82 MKNK1 (0.65) FYNKCNH2MKNK1DYRK3CCNT1
SCHEMBL1203232 0.82 CLK1 (0.46) FYNKCNH2GRM5RAB9AGAA
SCHEMBL17437976 0.80 TYK2 (0.54) FYNKCNH2GAAALDH1A1MAPT
SCHEMBL1203809 0.79 PPARD (0.49) FYNALDH1A1MAPTMEN1KMT2A

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
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO disclosed