SCHEMBL18704450

SCHEMBL18704450

CCc1c(C(=O)O)nc2c(c(C)nn2-c2ccccc2)c1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 10/20 0.47
▸ GRM5 P41594 9/20 0.47
▸ PDK4 Q16654 1/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39

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
SCHEMBL18704507 0.79 GPR119 (0.47) HSD17B10GPR119MEN1KMT2AKDM4E
SCHEMBL18694481 0.78 KDM4E (0.47) GRM1GRM5PDK4HSD17B10HTR6
SCHEMBL18704492 0.76 GRM1 (0.49) GRM1GRM5PDK4TNK2
SCHEMBL20217955 0.70 GRM1 (0.56) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL2893158 0.70 GRM1 (0.69) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL2893091 0.69 GRM1 (0.61) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL18704441 0.69 CFTR (0.47) HSD17B10KDM4EHPGD
SCHEMBL2239831 0.69 NAMPT (0.66) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL23505457 0.69 GRM1 (0.55) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL8613189 0.69 GRM1 (0.62) GRM1GRM5PDK4NAMPTTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO disclosed
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