SCHEMBL25974752

SCHEMBL25974752

Cc1cc2nc(-c3ccccc3)cc(N3CCC3)n2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.66
MAPK10 P53779 1/20 0.66
BTK Q06187 1/20 0.66
MRGPRX2 Q96LB1 1/20 0.66
HPGD P15428 10/20 0.62
ABCB1 P08183 2/20 0.59
KDM4E B2RXH2 13/20 0.58
ALDH1A1 P00352 13/20 0.58
MAPT P10636 10/20 0.58
NPSR1 Q6W5P4 6/20 0.58
POLB P06746 5/20 0.58
L3MBTL1 Q9Y468 9/20 0.57
LMNA P02545 7/20 0.57
HCRTR1 O43613 3/20 0.57
MAPK1 P28482 3/20 0.57
KMT2A Q03164 6/20 0.56
HSD17B10 Q99714 6/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 9/20 0.55
TDP1 Q9NUW8 4/20 0.55

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
SCHEMBL25973951 0.96 MAPK8 (0.65) MAPK8MAPK10BTKMRGPRX2HPGD
SCHEMBL25974766 0.90 KDM4E (0.72) MAPK8MAPK10BTKMRGPRX2HPGD
SCHEMBL7067515 0.86 KDM4E (0.68) HPGDABCB1KDM4EALDH1A1MAPT
SCHEMBL7067639 0.85 KDM4E (0.63) HPGDABCB1KDM4EALDH1A1MAPT
SCHEMBL25974771 0.83 MAPK8 (0.65) MAPK8MAPK10BTKMRGPRX2HPGD
SCHEMBL7065589 0.82 KDM4E (0.63) HPGDABCB1KDM4EALDH1A1MAPT
SCHEMBL25975420 0.78 KDM4E (0.69) MAPK8MAPK10BTKMRGPRX2HPGD
SCHEMBL25337878 0.77 KDM4E (0.64) HPGDABCB1KDM4EALDH1A1MAPT
SCHEMBL25974822 0.77 ABCB1 (0.55) MAPK8MAPK10BTKMRGPRX2HPGD
SCHEMBL25974258 0.77 MAPT (0.69) MAPK8MAPK10BTKMRGPRX2HPGD

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