SCHEMBL31489486

SCHEMBL31489486

COc1cn2nc(-n3c(C)ccc3C)nc2cc1B(O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
MYC P01106 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33
TUBB2A Q13885 3/20 0.33
TUBB8 Q3ZCM7 3/20 0.33
TUBA3E Q6PEY2 3/20 0.33
TUBA1A Q71U36 3/20 0.33
TUBA1C Q9BQE3 3/20 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
SCHEMBL31489657 0.81
SCHEMBL31489573 0.81 KDM4E (0.40) MAPTLMNAKDM4EALDH1A1NR4A1
SCHEMBL31489282 0.78
SCHEMBL31489563 0.73 EGFR (0.32) LMNAPIK3CDPIK3CAPIK3CGSMN1; SMN2
SCHEMBL31489671 0.72 CA1 (0.32) KDM4E
SCHEMBL31489531 0.69 KDM4E (0.39) KDM4E
SCHEMBL31489379 0.67 KDM4E (0.37) KDM4E
SCHEMBL31489137 0.67 KDM4E (0.30) KDM4E
SCHEMBL31489219 0.65 PDE10A (0.33) KDM4E
SCHEMBL31489689 0.64 AHR (0.50) MYCKDM4EALDH1A1NR4A1NPC1

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