SCHEMBL30679707

SCHEMBL30679707

CCS(=O)(=O)O.C[C@@H](c1oc(=O)c2ccccc2c1-c1cccc(CN(C)C)c1)n1nc(-c2cncc(O)c2)c2c(N)ncnc21

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR known ✓ P35968 5/20 0.42
▸ PIK3CD O00329 17/20 0.47
▸ PIK3CG P48736 13/20 0.47
▸ PIK3CB P42338 11/20 0.47
▸ PIK3CA P42336 8/20 0.47
▸ ABL1 P00519 5/20 0.42
▸ EGFR P00533 5/20 0.42
▸ HCK P08631 5/20 0.42
▸ SRC P12931 5/20 0.42
▸ MTOR P42345 5/20 0.42
▸ EPHB4 P54760 5/20 0.42
▸ PRKDC P78527 5/20 0.42
▸ PI4KB Q9UBF8 5/20 0.42
▸ PIK3R1 P27986 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ PIK3C2B O00750 1/20 0.40

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
SCHEMBL30679705 0.97 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL22498167 0.97 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL22498171 0.97 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL22498067 0.97 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL29641606 0.97 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL22498197 0.97 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL22504983 0.97 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3CAABL1
Hydrochloric Acid SCHEMBL22498347 0.96 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAABL1
Hydrochloric Acid SCHEMBL22498242 0.96 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAABL1
Hydrochloric Acid SCHEMBL30679710 0.96 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAABL1

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
EP-3947384-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2023-11-01 — — EP claimed
EP-3947384-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2023-11-01 — — EP disclosed
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