SCHEMBL14590841

SCHEMBL14590841

Cc1ccc(-c2cn(N)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.40
▸ CYP2E1 P05181 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2B6 P20813 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ PDE10A Q9Y233 1/20 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
SCHEMBL4865861 0.72 CYP2C9 (0.43) PTGS2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL8899193 0.71 RAB9A (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL676678 0.71 HPGDS (0.56) PTGS2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3423365 0.70 CYP2A6 (0.66) PTGS2CYP2A6HPGDSSYKKDM4E
SCHEMBL14268975 0.70 CYP2C9 (0.48) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL25406780 0.70 NPC1 (0.42) PTGS2CYP2C9CYP2C19PIK3CDPIK3CA
SCHEMBL30567671 0.70 NPC1 (0.42) PTGS2CYP2C9CYP2C19PIK3CDPIK3CA
SCHEMBL15498024 0.70 HPGDS (0.47) PTGS2CYP2A6PIK3CDPIK3CAPIK3CB
SCHEMBL15025716 0.69 HPGDS (0.50) PTGS2CYP2A6PIK3CDPIK3CAPIK3CB
SCHEMBL17051516 0.69 HPGDS (0.54) PTGS2PIK3CDPIK3CAPIK3CBPI4KA

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-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 — — US disclosed
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