SCHEMBL31361561

SCHEMBL31361561

Nc1nc(-c2ccccn2)c(Br)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.55
MAPT P10636 3/20 0.49
ALOX15 P16050 3/20 0.49
MEN1 O00255 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
KDM4E B2RXH2 7/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43

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
SCHEMBL16990880 0.81 KDM4E (0.54) MAPTALOX15KMT2AHSD17B10KDM4E
SCHEMBL11796387 0.79 TGFBR1 (0.56) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL3737029 0.79 TGFBR1 (0.55) TGFBR1MAPTALOX15PIK3CDPIK3CA
Bromide SCHEMBL29078717 0.78 TGFBR1 (0.54) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL1850971 0.76 TGFBR1 (0.51) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL30309300 0.76 TGFBR1 (0.51) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL2481668 0.76 TGFBR1 (0.51) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL18230501 0.76 TGFBR1 (0.51) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL31361560 0.76 MAPT (0.62) TGFBR1MAPTALOX15PIK3CDPIK3CA
SCHEMBL5956505 0.75 TGFBR1 (0.55) TGFBR1MAPTMEN1KMT2APIK3CD

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
EP-4746882-A1 INHIBITORS OF SMNDC1 AND THEIR THERAPEUTIC USE CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2026-05-27 EP disclosed
WO-2025017207-A1 INHIBITORS OF SMNDC1 AND THEIR THERAPEUTIC USE CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2025-01-23 WO disclosed