SCHEMBL31361560

SCHEMBL31361560

CCc1sc(N)nc1-c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TGFBR1 P36897 8/20 0.51
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18230383 0.88 ALDH1A1 (0.55) MAPTALDH1A1TGFBR1PIK3CDPIK3CA
SCHEMBL19783113 0.82 TGFBR1 (0.49) MAPTALDH1A1TGFBR1PIK3CDPIK3CA
SCHEMBL11796387 0.79 TGFBR1 (0.56) MAPTTGFBR1PIK3CDPIK3CAPI4KA
SCHEMBL3113871 0.78 ALDH1A1 (0.50) MAPTALDH1A1ADORA2AADORA1PIK3CD
Bromide SCHEMBL29078717 0.78 TGFBR1 (0.54) MAPTTGFBR1PIK3CDPIK3CAPI4KA
SCHEMBL6440938 0.77 NPC1 (0.50) MAPTALDH1A1TGFBR1ADORA2AADORA1
SCHEMBL2174125 0.77 ALDH1A1 (1.00) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL15993383 0.77 HSD17B10 (0.42) MAPTALDH1A1ADORA2AADORA1KDM4E
SCHEMBL31361561 0.76 TGFBR1 (0.55) MAPTTGFBR1PIK3CDPIK3CAPI4KA
SCHEMBL3737029 0.76 TGFBR1 (0.55) MAPTTGFBR1PIK3CDPIK3CAPI4KA

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