SCHEMBL1979524

SCHEMBL1979524

O=C(O)c1ccc(-c2c(F)ccc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PIM1 P11309 12/20 0.45
PIM2 Q9P1W9 4/20 0.45
PIM3 Q86V86 3/20 0.45
FHIT P49789 1/20 0.44
CHEK1 O14757 1/20 0.42
WEE1 P30291 1/20 0.42
TTR P02766 1/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42
DYRK1A Q13627 2/20 0.42
PDK2 Q15119 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL11907943 0.88 MKNK1 (0.46) MKNK1MKNK2PIM1PIM2PIM3
SCHEMBL1980514 0.85 PIM1 (0.44) MKNK1MKNK2PIM1PIM2PIM3
SCHEMBL1981391 0.85 PIM1 (0.51) PIM1PIM2PIM3CHEK1WEE1
SCHEMBL1980196 0.83 WNT1 (0.50) PIM1PIM2PIM3DYRK1A
SCHEMBL1981158 0.81 PIM1 (0.51) PIM1PIM2PIM3CHEK1WEE1
SCHEMBL12597204 0.81 HDAC4 (0.39) PIM1CLK2CLK3DYRK1A
SCHEMBL1984452 0.81 FHIT (0.55) MKNK1MKNK2PIM1PIM2PIM3
SCHEMBL11908668 0.79 CHEK1 (0.44) PIM1PIM2PIM3CHEK1CLK2
SCHEMBL13190763 0.78 SLC2A1 (0.46) PIM1PIM2PIM3CHEK1CLK2
SCHEMBL11929477 0.78 PIM1 (0.54) PIM1PIM2PIM3CHEK1CLK2

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
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed