SCHEMBL30765233

SCHEMBL30765233

Cn1ncc2ccc(-c3cc4nccc(-c5cccc(S(C)(=O)=O)c5)c4o3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
BRD4 O60885 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 4/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
SCD5 Q86SK9 1/20 0.35
JAK2 O60674 1/20 0.34
MET P08581 2/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL27260617 0.82 KCNH2 (0.47) MAP3K7TAB1NR1H2NR1H3BRD4
SCHEMBL724751 0.82 MAP3K7 (0.47) MAP3K7TAB1NR1H2NR1H3BRD4
SCHEMBL27260622 0.81 NR1H2 (0.38) MAP3K7TAB1NR1H2NR1H3PIK3CB
SCHEMBL10268110 0.79 MET (0.44) MAP3K7TAB1CCNCCDK8MET
SCHEMBL27260619 0.79 NR1H2 (0.41) MAP3K7TAB1NR1H2NR1H3PIK3CB
SCHEMBL27260814 0.78 NR1H2 (0.42) NR1H2NR1H3ACVR1KCNH2SYK
SCHEMBL27260990 0.78 NR1H2 (0.42) NR1H2NR1H3ACVR1KCNH2SYK
SCHEMBL27260720 0.78 MTOR (0.42) MAP3K7TAB1NR1H2NR1H3PIK3CB
SCHEMBL27260722 0.76 NR1H2 (0.43) NR1H2NR1H3BRD4KCNH2JAK2
SCHEMBL30765332 0.76 KCNH2 (0.42) MAP3K7TAB1NR1H2NR1H3PIK3CB

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