SCHEMBL7730191

SCHEMBL7730191

COc1ccc(-c2cc(C(=O)NCc3ccccn3)c(=O)n(C)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.59
ADORA1 P30542 2/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
GSK3B P49841 1/20 0.54
HPGD P15428 4/20 0.54
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 6/20 0.51
LMNA P02545 6/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDE10A Q9Y233 2/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.48

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
SCHEMBL7720189 0.86 TACR3 (0.58) KMT2AMEN1GSK3BALDH1A1HTT
SCHEMBL7723633 0.85 ADORA2A (0.53) ADORA2AADORA1KMT2AMEN1GSK3B
SCHEMBL7730164 0.83 ADORA2A (0.54) ADORA2AADORA1KMT2AMEN1GSK3B
SCHEMBL7723678 0.83 ADORA2A (0.51) ADORA2AADORA1KMT2AMEN1GSK3B
SCHEMBL7723469 0.81 JAK2 (0.52) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL7723102 0.76 PLA2G2A (0.54) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL23495338 0.75 POLB (0.67) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL29436204 0.75 POLB (0.67) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6450710 0.74 TACR3 (0.76) ADORA2AADORA1KMT2AMEN1HPGD
SCHEMBL7720232 0.72 MAPT (0.54) KMT2AMEN1HPGDALDH1A1MAPK1

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
US-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP disclosed