SCHEMBL4748291

SCHEMBL4748291

Cc1cc(-c2cccnc2)cc2c1C(=O)N(NC1CCCCC1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.49
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
PABPC1 P11940 1/20 0.38
HTR6 P50406 1/20 0.38
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
GAA P10253 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
SCHEMBL8230137 0.82 PIK3CG (0.48) PIK3CGCYP1A2CYP11B1CYP11B2HTR6
SCHEMBL8231088 0.81 PIK3CG (0.49) PIK3CGCYP1A2CYP11B1CYP11B2CYP17A1
SCHEMBL2026420 0.80 PIK3CG (0.66) PIK3CGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2020904 0.80 PIK3CG (0.66) PIK3CGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8270165 0.80 PIK3CG (0.66) PIK3CGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4818333 0.79 PIK3CG (0.45) PIK3CGCYP1A2CYP11B1CYP11B2HTR6
SCHEMBL8237567 0.78 PIK3CG (0.49) PIK3CGCYP1A2CYP11B1CYP11B2CYP17A1
SCHEMBL4748031 0.78 PIK3CG (0.41) PIK3CGCYP11B2
SCHEMBL4328277 0.78 PIK3CG (0.50) PIK3CGCYP1A2CYP3A4CYP2C9CYP11B1
Isopropyl Alcohol SCHEMBL4983070 0.78 PIK3CG (0.49) PIK3CGCYP1A2CYP3A4CYP2D6CYP2C9

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
WO-2008130853-A1 HYDRAZIDES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS - 681 ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130853-A1 HYDRAZIDES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS - 681 ASTRAZENECA AB (SE) 2008-10-30 WO disclosed