SCHEMBL1979494

SCHEMBL1979494

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(C(=O)N(C)C2CCN(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
MCHR1 Q99705 8/20 0.43
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
PIM1 P11309 4/20 0.37
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
IGF1R P08069 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
USP30 Q70CQ3 1/20 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
SCHEMBL12597822 0.86 TLR9 (0.37) DYRK1ATLR9TLR8TLR7PIM1
SCHEMBL1979506 0.85 TLR9 (0.49) TLR9TLR8TLR7PIM1CDK1
SCHEMBL12598113 0.85 TLR9 (0.49) TLR9TLR8TLR7PIM1CDK1
SCHEMBL473656 0.84 DYRK1A (0.46) DYRK1AMCHR1TLR9TLR8TLR7
SCHEMBL1978545 0.83 IGF1R (0.41) DYRK1ATLR7PIM1IGF1R
SCHEMBL12597443 0.83 TLR9 (0.44) TLR9TLR8TLR7PIM1
SCHEMBL12597621 0.83 TLR9 (0.41) TLR9TLR8TLR7PIM1
SCHEMBL12597821 0.82 TLR9 (0.44) TLR9TLR8TLR7PIM1CDK1
SCHEMBL12597820 0.82 TLR9 (0.40) DYRK1AMCHR1TLR9TLR8TLR7
SCHEMBL1979090 0.82 ABL1 (0.47) TLR9TLR8TLR7

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