SCHEMBL21135830

SCHEMBL21135830

C/C=N/Nc1nc(N2CCOCC2)c2cc(-c3cccnc3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
PTK2 Q05397 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 4/20 0.40
LRRK2 Q5S007 2/20 0.40
GBA1 P04062 1/20 0.39
ACVR1 Q04771 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PIKFYVE Q9Y2I7 2/20 0.38
PDE10A Q9Y233 2/20 0.38
PIK3R1 P27986 1/20 0.37
MTOR P42345 1/20 0.37
JAK1 P23458 1/20 0.37
CHEK1 O14757 1/20 0.37
MAPK10 P53779 1/20 0.37
AURKA O14965 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL30312488 0.86 PIKFYVE (0.55) PIK3CAPIKFYVEMTORPIK3CB
SCHEMBL21054603 0.86 PIKFYVE (0.55) PIK3CAPIKFYVEMTORPIK3CB
SCHEMBL21135838 0.83 TRPM8 (0.42) ALDH1A1SMN1; SMN2PIK3CAPIKFYVEMTOR
SCHEMBL21135843 0.82 PIKFYVE (0.43) PIK3CAPIKFYVEPIK3R1MTORPIK3CB
SCHEMBL30312484 0.76 PIKFYVE (0.64) PIK3CAPIKFYVEMTORPIK3CB
SCHEMBL21053972 0.76 PIKFYVE (0.64) PIK3CAPIKFYVEMTORPIK3CB
SCHEMBL21135844 0.76 PIK3CA (0.42) PIK3CALRRK2PIKFYVEPIK3R1MTOR
SCHEMBL21135798 0.74 PIK3CA (0.41) JAK3ALDH1A1PIK3CALRRK2PIK3R1
SCHEMBL21135799 0.74 PIK3CA (0.42) ALDH1A1PIK3CAPIK3R1MTORPIK3CB
SCHEMBL23272141 0.72 PIKFYVE (0.64) PIK3CAPIKFYVEMTORPIK3CB

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