SCHEMBL22626586

SCHEMBL22626586

COc1cc2c(cc1-c1cccnc1)-c1c(c(C(=O)N3CCCN(C)CC3)nn1-c1ccsc1)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 1/20 0.42
▸ PIK3CD O00329 9/20 0.40
▸ PIK3R2 O00459 9/20 0.40
▸ PIK3CA P42336 9/20 0.40
▸ PIK3CB P42338 9/20 0.40
▸ PIK3CG P48736 9/20 0.40
▸ PIK3R5 Q8WYR1 9/20 0.40
▸ PIK3R3 Q92569 9/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36

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
SCHEMBL16339759 0.93 PIK3CD (0.37) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377961 0.82 CYP11B1 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377819 0.81 PIK3CD (0.37) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17783265 0.81 CYP19A1 (0.36) CYP3A4CYP19A1CYP11B1CYP11B2IRAK4
SCHEMBL16339761 0.80 CYP19A1 (0.32) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16340232 0.80 UGCG (0.38) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL24519352 0.80 PIK3CD (0.36) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20580158 0.80 PIK3CD (0.37) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20579991 0.77 UGCG (0.34) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377696 0.77 UGCG (0.34) UGCGPIK3CDPIK3R2PIK3CAPIK3CB

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-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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