SCHEMBL1980375

SCHEMBL1980375

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
RIPK1 Q13546 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
ACACB O00763 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL1982548 0.93 ERN1 (0.46) JAK2JAK1TYK2JAK3ABL1
SCHEMBL1979090 0.91 ABL1 (0.47) RIPK1ABL1BCRACACBMKNK1
SCHEMBL1978969 0.88 TLR7 (0.41) JAK2JAK1TYK2JAK3ABL1
SCHEMBL12597441 0.87 TLR8 (0.49) ABL1BCRTLR8TLR7TACR3
SCHEMBL12597824 0.86 TLR8 (0.41) ABL1BCRACACBHPGDMKNK1
SCHEMBL12598113 0.85 TLR9 (0.49) JAK2JAK1TYK2JAK3ABL1
SCHEMBL1979506 0.85 TLR9 (0.49) JAK2JAK1TYK2JAK3ABL1
SCHEMBL1979824 0.85 ACACB (0.43) ABL1BCRACACBHPGDMKNK1
SCHEMBL1980514 0.85 PIM1 (0.44) MKNK1MKNK2TLR8TLR7PIM1
SCHEMBL12597443 0.84 TLR9 (0.44) ABL1BCRACACBMKNK1MKNK2

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