SCHEMBL6984657

SCHEMBL6984657

CC(C)n1nc(-c2cc(C#Cc3ccccc3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
RET P07949 1/20 0.34
GRM4 Q14833 8/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
MDM2 Q00987 1/20 0.32
MCL1 Q07820 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 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
SCHEMBL6985198 0.85 HSD11B1 (0.37) ALDH1A1GAABMPR1BBMPR1ATGFBR1
SCHEMBL6987355 0.80 ALDH1A1 (0.38) ALDH1A1GAANPC1RAB9ABMPR1B
SCHEMBL6986371 0.80 ALDH1A1 (0.41) ALDH1A1GAANPC1RAB9ABMPR1B
SCHEMBL6985846 0.79 BCL2 (0.41) ALDH1A1GAAMDM2MCL1
SCHEMBL6986812 0.78 ALDH1A1 (0.40) ALDH1A1GAANPC1RAB9AMDM2
SCHEMBL5149226 0.77 GRM5 (0.46) GRM5ALDH1A1ABL1RETNPC1
SCHEMBL6982469 0.76 CYP2C9 (0.39) ALDH1A1GAAMDM2MCL1
SCHEMBL6987183 0.75 TSHR (0.45) ALDH1A1MDM2MCL1
SCHEMBL6981026 0.75 AGTR2 (0.40) ALDH1A1HSD11B1
SCHEMBL6981881 0.74 PDE10A (0.43) ALDH1A1GAAMDM2POLB

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