SCHEMBL4201283

SCHEMBL4201283

COC(=O)C(C)c1c[nH]c2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.57
MTNR1A P48039 1/20 0.45
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
KMT2A Q03164 1/20 0.44
AXL P30530 1/20 0.44
CAMKK2 Q96RR4 2/20 0.44
GPR84 Q9NQS5 1/20 0.43
BRD4 O60885 1/20 0.42
MET P08581 3/20 0.41
LRRK2 Q5S007 1/20 0.41
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL27678813 0.87 MAP2K1 (0.54) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL4190015 0.85 MAP2K1 (0.52) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL27563134 0.84 MAP2K1 (0.56) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL30713630 0.84 MAP2K1 (0.51) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL27750328 0.84 MAP2K1 (0.51) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL12491066 0.79 AXL (0.51) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL820352 0.78 AXL (0.55) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL30068926 0.78 AXL (0.55) MAP2K1MTNR1AGRM8GRM4KMT2A
SCHEMBL1327936 0.78 GPR84 (0.54) KMT2AGPR84
SCHEMBL29800817 0.78 GPR84 (0.54) KMT2AGPR84

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467612-B Simple preparation method of prostaglandin D2 receptor inhibitor compound 新发药业有限公司 2020-09-25 CN disclosed
EP-2032578-A2 TRIAZOLOPYRIDAZINE DERIVATIVES Pfizer Products Incorporated (US) 2009-03-11 EP disclosed
WO-2007138472-A2 TRIAZOLOPYRIDAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-12-06 WO disclosed
WO-2007138472-A2 TRIAZOLOPYRIDAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-12-06 WO disclosed