SCHEMBL21703985

SCHEMBL21703985

Cc1ncc2c(N)c(C)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NOS1 P29475 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
IKBKB O14920 2/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
TKT P29401 1/20 0.31
PDK2 Q15119 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
SCHEMBL21704211 0.85 KDM4E (0.33) LIMK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL23938014 0.81 LIMK1 (0.33) LIMK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL20731005 0.71 ALDH1A1 (0.62) LIMK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL24729646 0.71 ALDH1A1 (0.45) LIMK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL23938107 0.68 KDM4E (0.42) LIMK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL23938084 0.67 IKBKB (0.43) LIMK1L3MBTL1MAPTNOS1IKBKB
SCHEMBL20731564 0.67 USP25 (0.38)
SCHEMBL16919863 0.67 GPR3 (0.45) LIMK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5534850 0.67 SMN1; SMN2 (0.41) ALDH1A1MAPTHSD17B10NOS1SMN1; SMN2
SCHEMBL23937997 0.66 KDM4E (0.41) LIMK1L3MBTL1KDM4EALDH1A1MAPT

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed