SCHEMBL25975296

SCHEMBL25975296

Cc1cc2nc(-c3ccccc3)cc(C3CCC3)n2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
BTK Q06187 1/20 0.53
MRGPRX2 Q96LB1 1/20 0.53
MAPT P10636 2/20 0.48
KDM4E B2RXH2 8/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 4/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPK1 P28482 3/20 0.43

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
SCHEMBL25975282 0.96 MAPK8 (0.55) MAPK8MAPK10BTKMRGPRX2MAPT
SCHEMBL25975349 0.82 MAPK8 (0.51) MAPK8MAPK10BTKMRGPRX2MAPT
SCHEMBL25974122 0.81 KDM4E (0.68) MAPTKDM4ERAB9ATP53ALDH1A1
SCHEMBL25975317 0.81 MAPK8 (0.53) MAPK8MAPK10BTKMRGPRX2MAPT
SCHEMBL25974258 0.79 MAPT (0.69) MAPK8MAPK10BTKMRGPRX2MAPT
SCHEMBL25974110 0.79 KDM4E (0.68) MAPTKDM4ERAB9ATP53ALDH1A1
SCHEMBL25974099 0.78 KDM4E (0.67) MAPTKDM4ERAB9ATP53ALDH1A1
SCHEMBL25975420 0.77 KDM4E (0.69) MAPK8MAPK10BTKMRGPRX2MAPT
SCHEMBL25974797 0.76 RAB9A (0.57) MAPK8MAPK10BTKMRGPRX2MAPT
SCHEMBL25974752 0.75 MAPK8 (0.66) MAPK8MAPK10BTKMRGPRX2MAPT

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-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO disclosed