SCHEMBL21135833

SCHEMBL21135833

C/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)NC3CCC3)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.47
CNR2 P34972 2/20 0.41
PDE7A Q13946 5/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PRKDC P78527 1/20 0.38
KDM1A O60341 2/20 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
SCHEMBL21135817 0.92 PIKFYVE (0.49) PIKFYVECNR2PDE7ARAB9AKMT2A
SCHEMBL21135829 0.92 PIKFYVE (0.48) PIKFYVECNR2PDE7AALDH1A1LMNA
SCHEMBL23272110 0.86 PIKFYVE (0.67) PIKFYVERAB9AKMT2ALMNA
SCHEMBL30312400 0.86 PIKFYVE (0.67) PIKFYVERAB9AKMT2ALMNA
SCHEMBL21054004 0.84 PIKFYVE (0.67) PIKFYVERAB9AKMT2ANPC1RXFP1
SCHEMBL30312413 0.84 PIKFYVE (0.67) PIKFYVERAB9AKMT2ANPC1RXFP1
SCHEMBL30312346 0.83 PIKFYVE (0.66) PIKFYVEPDE7ARAB9AKMT2ANPC1
SCHEMBL21054951 0.83 PIKFYVE (0.66) PIKFYVEPDE7ARAB9AKMT2ANPC1
SCHEMBL21053987 0.82 PIKFYVE (0.68) PIKFYVEPDE7AKMT2ALMNA
SCHEMBL30312425 0.82 PIKFYVE (0.68) PIKFYVEPDE7AKMT2ALMNA

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed