SCHEMBL25154231

SCHEMBL25154231

C=N/N=C(\C)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HSP90AA1 P07900 3/20 0.43
GAA P10253 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.34

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
SCHEMBL14434128 0.78 KDM4E (0.53) KDM4ENAPRTHCAR2SMN1; SMN2HSP90AA1
SCHEMBL6748574 0.78 KDM4E (0.53) KDM4ENAPRTHCAR2SMN1; SMN2HSP90AA1
SCHEMBL9876452 0.76 BAZ2B (0.50) KDM4ENAPRTHCAR2SMN1; SMN2HSP90AA1
SCHEMBL18758231 0.74 SMN1; SMN2 (0.39) KDM4ENAPRTHCAR2SMN1; SMN2HSP90AA1
SCHEMBL28859430 0.73 KDM4E (0.49) KDM4ESMN1; SMN2HSP90AA1GAANPC1
SCHEMBL29883799 0.73 KDM4E (0.49) KDM4ESMN1; SMN2HSP90AA1GAANPC1
SCHEMBL28859428 0.73 KDM4E (0.49) KDM4ESMN1; SMN2HSP90AA1GAANPC1
SCHEMBL3504579 0.73
SCHEMBL31039494 0.73
SCHEMBL27923673 0.72

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-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed