SCHEMBL30765170

SCHEMBL30765170

Cn1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)NCCN)c4)c3o2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
BRD4 O60885 6/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
TDO2 P48775 1/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
IKBKB O14920 2/20 0.38
CHUK O15111 2/20 0.38
ROCK1 Q13464 2/20 0.38
TTK P33981 1/20 0.37
MAPK8 P45983 1/20 0.37
EGFR P00533 2/20 0.37
MET P08581 2/20 0.37
IRAK1 P51617 1/20 0.36
PIK3CA P42336 1/20 0.36
INSR P06213 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35

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
SCHEMBL27260716 1.00 LOXL2 (0.41) LOXL2BRD4IRAK4TDO2PIK3CG
SCHEMBL27260728 0.92 BRD4 (0.49) LOXL2BRD4IRAK4PIK3CGPIK3CD
SCHEMBL30765282 0.86 PIK3CG (0.49) PIK3CGPIK3CDPIK3CBIKBKBCHUK
SCHEMBL27260617 0.84 KCNH2 (0.47) LOXL2BRD4PIK3CDTTKMAPK8
SCHEMBL30765299 0.84 IRAK1 (0.41) BRD4IRAK4PIK3CGPIK3CDPIK3CB
SCHEMBL27260725 0.81 KCNH2 (0.40) LOXL2BRD4IRAK4TTKMAPK8
SCHEMBL724751 0.81 MAP3K7 (0.47) LOXL2BRD4PIK3CDTTKMAPK8
SCHEMBL30765309 0.78 ACVR1 (0.41) LOXL2BRD4IRAK4TDO2PIK3CD
SCHEMBL30765283 0.78 IRAK4 (0.38) LOXL2BRD4IRAK4TTKMAPK8
SCHEMBL27260809 0.78 IRAK4 (0.38) LOXL2BRD4IRAK4TTKMAPK8

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed