SCHEMBL31489573

SCHEMBL31489573

COc1cn2nc(-n3c(C)ccc3C)nc2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 6/20 0.36
RECQL P46063 1/20 0.36
NQO2 P16083 1/20 0.35
LMNA P02545 2/20 0.35
NR4A1 P22736 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
GAA P10253 2/20 0.33
ADAM17 P78536 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL31489531 0.82 KDM4E (0.39) KDM4E
SCHEMBL31489486 0.81 MAPT (0.33) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31489379 0.77 KDM4E (0.37) KDM4E
SCHEMBL31489563 0.75 EGFR (0.32) SMN1; SMN2LMNA
SCHEMBL31489689 0.72 AHR (0.50) KDM4EALDH1A1NPC1RAB9ANR4A1
SCHEMBL31489137 0.69 KDM4E (0.30) KDM4E
SCHEMBL31489622 0.68 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31489508 0.68 KDM4E (0.36) KDM4ENQO2
SCHEMBL31600705 0.67 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8387974 0.65 MAPT (0.47) KDM4EALDH1A1MAPTLMNANR4A1

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