SCHEMBL1980514

SCHEMBL1980514

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
FHIT P49789 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL12597359 0.92 SLC2A1 (0.45) PIM1PIM3PIM2MKNK1MKNK2
SCHEMBL1980257 0.89 PIM1 (0.52) PIM1PIM3PIM2TLR8TLR7
SCHEMBL12597446 0.87 FFAR1 (0.44) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1983761 0.86 BRAF (0.47) PIM1TLR7SMPD1CLK2CLK3
SCHEMBL12597832 0.86 DYRK1A (0.45) PIM1TLR8TLR7DYRK1ATLR9
SCHEMBL12597452 0.86 PIM1 (0.49) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1979090 0.85 ABL1 (0.47) MKNK1MKNK2TLR8TLR7TLR9
SCHEMBL1981803 0.85 MTNR1A (0.45) PIM1PIM3PIM2TLR8TLR7
SCHEMBL1979524 0.85 MKNK1 (0.46) PIM1PIM3PIM2MKNK1MKNK2
SCHEMBL1981315 0.85 PTAFR (0.47) TLR7SMPD1CLK2CLK3DYRK1A

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 claimed
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