SCHEMBL20468981

SCHEMBL20468981

Cc1ccc(C#Cc2ccc(N3CC4CCC(C3)N4C3COC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.39
MAP3K12 Q12852 1/20 0.39
ADK P55263 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
SCHEMBL20469234 0.92 GRM5 (0.42) GRM5ADK
SCHEMBL24018502 0.86 MAP3K12 (0.43) MAP3K12
SCHEMBL20456720 0.83 MAP3K12 (0.41) GRM5MAP3K12ADK
SCHEMBL20468986 0.81 PIK3CA (0.49) GRM5ADK
SCHEMBL20469098 0.78 GRIN2D (0.40) MAP3K12
SCHEMBL20469130 0.78 SOS1 (0.43) ADK
SCHEMBL21012663 0.78 PDE10A (0.38) MAP3K12
SCHEMBL20468999 0.78 PDE10A (0.38) MAP3K12
SCHEMBL20469120 0.77 PIK3CA (0.51) GRM5
SCHEMBL20492207 0.77 MAP3K12 (0.36) GRM5MAP3K12ADK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 EP disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed