SCHEMBL30856679

SCHEMBL30856679

Nc1ncc(Br)cc1OC1CC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MET P08581 1/20 0.39
EPAS1 Q99814 1/20 0.37
DYRK1A Q13627 1/20 0.34
MAP4K3 Q8IVH8 2/20 0.32
IDO1 P14902 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
MAP3K12 Q12852 5/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29195489 1.00 KMT2A (0.41) KMT2AHTTMETEPAS1DYRK1A
SCHEMBL31309434 0.82 KMT2A (0.47) KMT2AHTTMETDYRK1AMAP4K3
SCHEMBL2654905 0.80 MAP4K3 (0.46) KMT2AHTTMETDYRK1AMAP4K3
SCHEMBL15616478 0.78 KMT2A (0.43) KMT2AHTTMETDYRK1AMAP4K3
SCHEMBL29195504 0.76 EPAS1 (0.34) KMT2AEPAS1MEN1MAPTRAB9A
SCHEMBL30856623 0.76 EPAS1 (0.34) KMT2AEPAS1MEN1MAPTRAB9A
SCHEMBL30448458 0.74 CYP1A2 (0.46) EPAS1
SCHEMBL20189884 0.74 CYP1A2 (0.46) EPAS1
SCHEMBL24723259 0.74 AKT1 (0.39) KMT2AHTTDYRK1AMAP3K12
SCHEMBL16858563 0.73 CYP1A2 (0.36) EPAS1SMN1; SMN2

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
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed