SCHEMBL31461687

SCHEMBL31461687

COc1nc2ccccc2c2nc(CNC(=O)c3ccccc3OC(F)F)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 1/20 0.39
UBE2I P63279 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL31461728 0.86 SMN1; SMN2 (0.43) HPGDSMN1; SMN2TP53GLARAB9A
SCHEMBL31461688 0.86 PDE10A (0.44) HPGDSMN1; SMN2TP53GLARAB9A
SCHEMBL31461691 0.86 PDE10A (0.44) HPGDSMN1; SMN2TP53GLARAB9A
SCHEMBL31461695 0.82 TP53 (0.41) HPGDSMN1; SMN2TP53RAB9ANPC1
SCHEMBL31461675 0.78 RAB9A (0.46) HPGDSMN1; SMN2TP53GLARAB9A
SCHEMBL31461652 0.76 KDM4E (0.49) HPGDTP53GLAKDM4EALDH1A1
SCHEMBL31461742 0.71 RAB9A (0.38) SMN1; SMN2RAB9ANPC1POLBKDM4E
SCHEMBL31461655 0.71 HPGD (0.48) HPGDSMN1; SMN2TP53GLARAB9A
SCHEMBL23611755 0.71 ALOX15 (0.47) HPGDSMN1; SMN2TP53GLARAB9A
SCHEMBL29930729 0.71 ALOX15 (0.47) HPGDSMN1; SMN2TP53GLARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed