SCHEMBL25813170

SCHEMBL25813170

CCSc1ccc(CN)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
AOC3 Q16853 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL28236907 0.81 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL7993593 0.81 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL24258311 0.80 LOXL2 (0.39) LOXL2RRM2HRH3ADRB2
SCHEMBL10483893 0.79 MC4R (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL507373 0.78 LOXL2 (0.32) LOXL2LMNAALDH1A1PKMRRM2
SCHEMBL29563968 0.78 NPC1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1492564 0.76 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL507633 0.76 AOC3 (0.41) AOC3LOXL2KDM4ESLC6A4RRM2
SCHEMBL19782159 0.75 P4HTM (0.53) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2174245 0.74 CHRNB2 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed