SCHEMBL31489419

SCHEMBL31489419

Cc1ccc(C)n1-c1nc2cc(Br)cc(C)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KDM4E B2RXH2 9/20 0.44
HCRTR1 O43613 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIK3CG P48736 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP11B2 P19099 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL31489622 0.83 KDM4E (0.39) NPC1RAB9AKDM4EHCRTR1CASP3
SCHEMBL31489689 0.75 AHR (0.50) NPC1RAB9AKDM4EHCRTR1CASP3
SCHEMBL31489505 0.75 KDM4E (0.37) NPC1RAB9AKDM4EHCRTR1CASP3
SCHEMBL26857578 0.74 PIK3CG (0.49) NPC1RAB9AKDM4EHCRTR1CASP3
SCHEMBL20265119 0.73 AHR (0.47) NPC1RAB9AKDM4EHCRTR1CASP3
SCHEMBL31489520 0.73 KDM4E (0.41) KDM4E
SCHEMBL31489565 0.71 LPL (0.33) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL31489209 0.70 MAPT (0.32) KDM4EMAPTMEN1KMT2A
SCHEMBL31489531 0.68 KDM4E (0.39) KDM4E
SCHEMBL18586369 0.66 KDM4E (0.47) NPC1RAB9AKDM4EMAPTMEN1

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