SCHEMBL1978545

SCHEMBL1978545

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(C(=O)NC2CN(C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.41
WNT1 P04628 4/20 0.41
DYRK1A Q13627 4/20 0.41
PIM1 P11309 3/20 0.40
TLR7 Q9NYK1 1/20 0.39
SMPD1 P17405 1/20 0.38
HPSE Q9Y251 1/20 0.38
MMP2 P08253 2/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL12597832 0.92 DYRK1A (0.45) WNT1DYRK1APIM1TLR7
SCHEMBL12597625 0.88 IGF1R (0.43) IGF1RWNT1DYRK1APIM1TLR7
SCHEMBL1979009 0.88 PIM1 (0.46) WNT1DYRK1APIM1
SCHEMBL12598118 0.86
SCHEMBL1979171 0.85 WNT1 (0.42) WNT1DYRK1ATLR7
SCHEMBL12597359 0.84 SLC2A1 (0.45) PIM1TLR7SMPD1HPSEPIM3
SCHEMBL1983761 0.84 BRAF (0.47) WNT1DYRK1APIM1TLR7SMPD1
SCHEMBL1979088 0.84 WNT1 (0.51) IGF1RWNT1DYRK1ATLR7
SCHEMBL11908594 0.83 DYRK1A (0.43) WNT1DYRK1APIM1PIM3PIM2
SCHEMBL1979090 0.83 ABL1 (0.47) TLR7

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