SCHEMBL9753419

SCHEMBL9753419

CC(C)c1c(CO)c(-c2ccc(F)cc2Cl)nn2cccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
HSD11B1 P28845 2/20 0.34
TP53 P04637 1/20 0.34
MAPK14 Q16539 2/20 0.34
GCGR P47871 2/20 0.33
DGAT2 Q96PD7 3/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
JAK2 O60674 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
P2RX7 Q99572 3/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL9753098 0.89 GCGR (0.40) GRM2MAPK14GCGR
SCHEMBL27347534 0.82 RORC (0.37) GRM2HSD11B1TP53MAPK14CNR1
SCHEMBL9753170 0.82 MAPK14 (0.44) MAPK14GCGR
SCHEMBL9753002 0.80 TGFBR1 (0.36) MAPK14
SCHEMBL9753400 0.80 TP53 (0.36) GRM2HSD11B1TP53MAPK14CNR1
SCHEMBL9753208 0.79 CDC7 (0.44) CDC7DBF4
SCHEMBL9752977 0.77 TP53 (0.34) GRM2HSD11B1TP53MAPK14JAK2
SCHEMBL9752975 0.77 TP53 (0.34) GRM2HSD11B1TP53MAPK14JAK2
SCHEMBL9753346 0.76 GCGR (0.39) MAPK14GCGR
SCHEMBL9752919 0.75 SMN1; SMN2 (0.43) GCGR

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed