SCHEMBL9753002

SCHEMBL9753002

CC(C)c1c(CO)c(-c2ccc(F)c(Cl)c2)nn2cccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.36
EGFR P00533 2/20 0.35
KDR P35968 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
ICMT O60725 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGS2 P35354 2/20 0.34
KCNH2 Q12809 1/20 0.33
PGR P06401 1/20 0.33
TGFBR2 P37173 4/20 0.33
MDM2 Q00987 2/20 0.33
MDM4 O15151 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL9753346 0.90 GCGR (0.39) TGFBR1EGFRTRPV3MAPK14TGFBR2
SCHEMBL9753170 0.84 MAPK14 (0.44) EGFRMAPK14PTGS2ADORA2AADORA1
SCHEMBL27438905 0.82 RORC (0.38) TGFBR1EGFRKDRPGRTGFBR2
SCHEMBL9753419 0.80 GRM2 (0.36) MAPK14
SCHEMBL9753040 0.80 PTGS2 (0.36) TGFBR1EGFRKDRMAPK14PTGS2
SCHEMBL9752919 0.80 SMN1; SMN2 (0.43) EGFRKCNH2ADORA2AADORA1
SCHEMBL9753347 0.79 PTPRC (0.43) EGFRMDM2GRIN1GRIN2B
SCHEMBL9753098 0.78 GCGR (0.40) TGFBR1EGFRMAPK14ADORA2AADORA1
SCHEMBL9752932 0.77 PTGS2 (0.34) TGFBR1EGFRKDRMAPK14PTGS2
SCHEMBL9752930 0.77 PTGS2 (0.34) TGFBR1EGFRKDRMAPK14PTGS2

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