SCHEMBL21135832

SCHEMBL21135832

CC/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)N3CCNCC3)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.42
MTOR P42345 3/20 0.41
PIK3CA P42336 1/20 0.41
P2RY12 Q9H244 9/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL21135837 0.94 PIKFYVE (0.45) PIKFYVEMTORP2RY12GAAKDM4E
SCHEMBL21135846 0.91 PIKFYVE (0.43) PIKFYVEMTORP2RY12GAAKDM4E
SCHEMBL23272123 0.83 PIKFYVE (0.65) PIKFYVEMTORPIK3CAGAAKDM4E
SCHEMBL30312348 0.83 PIKFYVE (0.65) PIKFYVEMTORPIK3CAGAAKDM4E
SCHEMBL21135817 0.77 PIKFYVE (0.49) PIKFYVERAB9A
SCHEMBL23272103 0.77 PIKFYVE (0.69) PIKFYVEMTORPIK3CAGAAKDM4E
SCHEMBL30312514 0.77 PIKFYVE (0.69) PIKFYVEMTORPIK3CAGAAKDM4E
SCHEMBL21135835 0.77 PIKFYVE (0.53) PIKFYVEMTORPIK3CA
SCHEMBL23272118 0.75 PIKFYVE (0.66) PIKFYVEMTORPIK3CAGAAKDM4E
SCHEMBL30312416 0.75 PIKFYVE (0.66) PIKFYVEMTORPIK3CAGAAKDM4E

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