SCHEMBL19063237

SCHEMBL19063237

COC(c1ccc(-c2ccc(C)nc2)cc1)C(N)CF

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ HPGDS O60760 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ APLNR P35414 1/20 0.31
▸ GRIA2 P42262 2/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL19062436 1.00 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20026213 1.00 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20026327 0.85 MKNK1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20026168 0.85 MKNK1 (0.31) —
SCHEMBL20026159 0.84 MAPT (0.36) —
SCHEMBL19062432 0.83 PIK3CA (0.39) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL20026088 0.83 PIK3CA (0.39) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL19062805 0.82 CYP2A6 (0.44) —
SCHEMBL14024065 0.82 CYP2A6 (0.44) —
SCHEMBL14024887 0.82 SCN10A (0.43) PIK3CDPIK3CAPIK3CBPI4KBPTGS2

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-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 — — EP disclosed
Send feedback