SCHEMBL6985198

SCHEMBL6985198

CC(C)n1nc(-c2cc(C#CC(C)(C)O)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 2/20 0.31
MCL1 Q07820 2/20 0.31
TSHR P16473 1/20 0.31
BCL2 P10415 1/20 0.31
RPA1 P27694 1/20 0.30
LMNA P02545 1/20 0.30
RIPK1 Q13546 1/20 0.30
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL6984657 0.85 GRM5 (0.35) HSD11B1ALDH1A1GAAPOLBMDM2
SCHEMBL6986371 0.79 ALDH1A1 (0.41) HSD11B1ALDH1A1GAAGRNSORT1
SCHEMBL6987355 0.76 ALDH1A1 (0.38) ALDH1A1GAATP53MDM2MCL1
SCHEMBL6986812 0.74 ALDH1A1 (0.40) ALDH1A1GAAMDM2MCL1TSHR
SCHEMBL6985846 0.73 BCL2 (0.41) ALDH1A1GAAMDM2MCL1TSHR
SCHEMBL6985626 0.73 SLC5A1 (0.43) TP53TSHR
SCHEMBL6982469 0.73 CYP2C9 (0.39) ALDH1A1GAAMDM2MCL1TSHR
SCHEMBL6985081 0.72 SLC5A1 (0.42) ALDH1A1POLBTP53
SCHEMBL6987183 0.72 TSHR (0.45) ALDH1A1MDM2MCL1TSHRBCL2
SCHEMBL6981026 0.72 AGTR2 (0.40) HSD11B1ALDH1A1TP53TSHRLMNA

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed