SCHEMBL21625155

SCHEMBL21625155

CNCCN(C)C(=O)c1ccc(-n2nc(C(=O)N3CCN(C)CC3)c3c2-c2ccsc2CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.42
▸ PIK3CD O00329 18/20 0.40
▸ PIK3R2 O00459 18/20 0.40
▸ PIK3CA P42336 18/20 0.40
▸ PIK3CB P42338 18/20 0.40
▸ PIK3CG P48736 18/20 0.40
▸ PIK3R5 Q8WYR1 18/20 0.40
▸ PIK3R3 Q92569 18/20 0.40
▸ UGCG Q16739 1/20 0.34

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
SCHEMBL21625090 0.88 SHMT2 (0.43) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625082 0.86 PIK3CD (0.46) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21636277 0.85 GRIA2 (0.37) SHMT2PIK3CAPIK3CG
SCHEMBL21625121 0.83 SHMT2 (0.47) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625146 0.82 CACNA2D1 (0.41) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625152 0.81 SHMT2 (0.48) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625196 0.80 PIK3CD (0.51) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625118 0.80 SHMT2 (0.50) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625174 0.80 SHMT2 (0.50) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625157 0.79 SHMT2 (0.59) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO claimed
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO disclosed
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO disclosed
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