SCHEMBL9634360

SCHEMBL9634360

CC1CCCc2c1nc1ccccc1c2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.49
EEF2K O00418 1/20 0.49
PLK4 O00444 1/20 0.49
DYRK3 O43781 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
AXL P30530 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
SYK P43405 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
PLK1 P53350 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK1G2 P78368 1/20 0.49
BTK Q06187 1/20 0.49
TYRO3 Q06418 1/20 0.49

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
SCHEMBL6892551 0.74 POLB (0.72) ACHEKMT2AMEN1KDM4EALDH1A1
SCHEMBL2363298 0.74 ALDH1A1 (0.72) CDC7EEF2KPLK4DYRK3PRKD3
SCHEMBL30861636 0.74 POLB (0.72) ACHEKMT2AMEN1KDM4EALDH1A1
SCHEMBL30861628 0.73 ALDH1A1 (0.65) ACHEKMT2AMEN1KDM4EALDH1A1
SCHEMBL9634987 0.73 ALDH1A1 (0.54) CDC7EEF2KPLK4DYRK3PRKD3
Water SCHEMBL3871916 0.73 ALDH1A1 (0.70) CDC7EEF2KPLK4DYRK3PRKD3
SCHEMBL30861620 0.73 ALDH1A1 (0.70) CDC7EEF2KPLK4DYRK3PRKD3
SCHEMBL10286447 0.72 ACHE (0.44) ACHEKMT2AMEN1KDM4EALDH1A1
SCHEMBL15491436 0.71 DHODH (0.58) CDC7EEF2KPLK4DYRK3PRKD3
SCHEMBL10620451 0.70 ACHE (0.61) ACHEKDM4EALDH1A1TSHRCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991001974-A1 ACRIDINE DERIVATIVES TRIFREE LIMITED (GB) 1991-02-21 WO claimed
EP-0485419-A1 ACRIDINE DERIVATIVES Trifree Limited (GB) 1992-05-20 EP disclosed
WO-1991001974-A1 ACRIDINE DERIVATIVES TRIFREE LIMITED (GB) 1991-02-21 WO disclosed