SCHEMBL31489689

SCHEMBL31489689

Cc1ccc(C)n1-c1nc2cc(Br)ccn2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
KDM4E B2RXH2 2/20 0.43
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HCRTR1 O43613 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL616699 0.78 AHR (0.57) AHRKDM4ENPC1RAB9AHCRTR1
SCHEMBL31489671 0.77 CA1 (0.32) KDM4E
SCHEMBL31489531 0.76 KDM4E (0.39) AHRKDM4EPDE10A
SCHEMBL31489203 0.76 PDE10A (0.32) AHRKDM4EPDE10A
SCHEMBL31489419 0.75 NPC1 (0.45) KDM4ENPC1RAB9AHCRTR1CASP3
SCHEMBL31489600 0.75 JAK2 (0.44) KDM4ENPC1RAB9APDE10AALDH1A1
SCHEMBL9107878 0.74 AHR (0.50) AHRNPC1RAB9APDE10AALDH1A1
SCHEMBL31096177 0.74 AHR (0.57) AHRNPC1RAB9AALDH1A1HTT
SCHEMBL31489379 0.74 KDM4E (0.37) AHRKDM4EPDE10A
SCHEMBL20619998 0.73 AHR (0.53) AHRNPC1RAB9AHCRTR1CASP3

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed