SCHEMBL13637487

SCHEMBL13637487

CCc1ccc(-n2nc(C)c3c2-c2ccccc2C3)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.36
▸ PIK3R2 O00459 4/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ PIK3CB P42338 4/20 0.36
▸ PIK3CG P48736 4/20 0.36
▸ PIK3R5 Q8WYR1 4/20 0.36
▸ PIK3R3 Q92569 4/20 0.36
▸ HIF1A Q16665 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ PTGER1 P34995 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31

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
SCHEMBL13212850 0.84 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2919130 0.83 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2916920 0.82 CCNA2 (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2916277 0.78 PIK3CD (0.56) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13212961 0.71 KDM4C (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2917847 0.70 CCNA2 (0.49) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL2910728 0.70 CCNA2 (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2915406 0.69 CCNA2 (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL1874008 0.66 PTGS1 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2910980 0.65 PIK3CD (0.51) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 — — US disclosed
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