SCHEMBL30765360

SCHEMBL30765360

CC(C)(O)c1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)oc23)ccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.34
SYK P43405 1/20 0.34
LRRK2 Q5S007 3/20 0.34
EGLN1 Q9GZT9 1/20 0.34
RAF1 P04049 5/20 0.33
BRAF P15056 5/20 0.33
PDE4B Q07343 1/20 0.33
GABRA5 P31644 1/20 0.33
CBLB Q13191 1/20 0.32
NAMPT P43490 1/20 0.32
VNN1 O95497 1/20 0.32
BTD P43251 1/20 0.32
TTK P33981 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL30765184 0.90 CCNC (0.35) PIK3C3LRRK2RAF1BRAFTTK
SCHEMBL27262365 0.87 TGFBR1 (0.42) RAF1BRAFCCNT1CDK9
SCHEMBL30765407 0.87 TGFBR1 (0.42) RAF1BRAFCCNT1CDK9
SCHEMBL27262537 0.84 ABL1 (0.35) RAF1BRAFGABRA5NAMPTCCNT1
SCHEMBL30765189 0.84 ABL1 (0.35) RAF1BRAFGABRA5NAMPTCCNT1
SCHEMBL30765284 0.84 LRRK2 (0.34) PIK3C3LRRK2EGLN1RAF1BRAF
SCHEMBL27263165 0.84 PDE4B (0.34) RAF1BRAFPDE4BNAMPT
SCHEMBL30765178 0.83 NPC1 (0.43) NAMPT
SCHEMBL30765379 0.83 NPC1 (0.43) NAMPT
SCHEMBL27263347 0.83 NPC1 (0.43) NAMPT

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