SCHEMBL26051112

SCHEMBL26051112

Cc1cnc(-c2ccc(C(F)(F)F)nc2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
PI4KB Q9UBF8 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
P2RX3 P56373 12/20 0.41
P2RX2 Q9UBL9 12/20 0.41
KCNH2 Q12809 2/20 0.39
MAP4K4 O95819 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
PDE10A Q9Y233 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL26066976 0.80 IDH1 (0.44) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL3057476 0.79 NPC1 (0.43)
SCHEMBL26848733 0.78 PIK3CA (0.45) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL16089000 0.77 PIK3CA (0.45) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL31596094 0.76 PIK3CA (0.41) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL16088951 0.76 PIK3CA (0.41) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL26848732 0.75 PIK3CA (0.43) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL30908151 0.75 HDAC1 (0.51) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL13680533 0.74 CYP2E1 (0.50) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL17589831 0.74 NPC1 (0.44) PIK3CD

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-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed