SCHEMBL30765341

SCHEMBL30765341

CC(C)(O)c1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CCC(F)C5)cc4)oc23)ccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
KDM1A O60341 6/20 0.35
HPGD P15428 1/20 0.35
TBK1 Q9UHD2 2/20 0.34
NR3C1 P04150 2/20 0.34
PGR P06401 1/20 0.34
HDAC4 P56524 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
JAK2 O60674 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
MAPK7 Q13164 1/20 0.33
DGAT2 Q96PD7 1/20 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
SCHEMBL27262456 1.00 NAMPT (0.37) NAMPTPIK3C3KDM1AHPGDTBK1
SCHEMBL30765285 0.87 GLRA1 (0.39) NAMPT
SCHEMBL30765255 0.87 GLRA1 (0.39) NAMPT
SCHEMBL30765202 0.87 GLRA1 (0.39) NAMPT
SCHEMBL30765178 0.86 NPC1 (0.43) NAMPTHPGDJAK2
SCHEMBL30765379 0.86 NPC1 (0.43) NAMPTHPGDJAK2
SCHEMBL27263347 0.86 NPC1 (0.43) NAMPTHPGDJAK2
SCHEMBL27263346 0.86 NPC1 (0.43) NAMPTHPGDJAK2
SCHEMBL30765407 0.86 TGFBR1 (0.42) HPGDHDAC4JAK2
SCHEMBL27262365 0.86 TGFBR1 (0.42) HPGDHDAC4JAK2

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