SCHEMBL1921732

SCHEMBL1921732

O=C(O)c1ccc2c(CC3CC3)n(-c3ccncc3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.39
CSNK2B P67870 4/20 0.39
CSNK2A1 P68400 4/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
PKM P14618 2/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 3/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL1923158 0.91 CHEK1 (0.47) RAB9ANPC1PKMMITFPOLB
SCHEMBL1921349 0.86 CHEK1 (0.45) RAB9ANPC1PKMMITFPOLB
SCHEMBL1920962 0.80 CHEK1 (0.43) CSNK2A2CSNK2BCSNK2A1CHEK1AURKA
SCHEMBL1921407 0.76 KCNJ6 (0.39) RAB9ANPC1PKMCHEK1AURKA
SCHEMBL1921845 0.76 ELANE (0.34)
SCHEMBL1921322 0.73 ALDH1A1 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL12533937 0.73 NPC1 (0.44) RAB9ANPC1L3MBTL1CHEK1AURKA
SCHEMBL1921363 0.72 CHEK1 (0.50) CSNK2A2CSNK2BCSNK2A1RAB9ANPC1
SCHEMBL16499092 0.68 CHEK1 (0.48) RAB9ANPC1PKMMITFPOLB
SCHEMBL1922389 0.67 ABCG2 (0.41) CSNK2A1L3MBTL1CHEK1AURKACSNK1A1

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
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP claimed