SCHEMBL29932029

SCHEMBL29932029

Cc1c(Cl)ncnc1-c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.49
▸ MTOR P42345 5/20 0.49
▸ PIK3CD O00329 4/20 0.49
▸ PIK3CB P42338 3/20 0.49
▸ PIK3CG P48736 3/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ SRC P12931 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ HCK P08631 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ EPHB4 P54760 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PDGFRB P09619 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ CYP2A6 P11509 1/20 0.44
▸ BIRC5 O15392 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL27029524 1.00 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL29115849 0.77 PARP10 (0.52) PIK3CAPIK3CDCYP1A2PDGFRBPDGFRA
SCHEMBL30718223 0.77 PARP10 (0.52) PIK3CAPIK3CDCYP1A2PDGFRBPDGFRA
SCHEMBL604021 0.76 ADORA2A (0.46) PIK3CAMTORCYP1A2SRCALDH1A1
SCHEMBL32667946 0.73 PDGFRB (0.77) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2772360 0.73 PDGFRB (0.77) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16200195 0.72 PDGFRB (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL6033768 0.72 ALDH1A1 (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13197745 0.72 PDGFRB (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17067682 0.72 PDGFRB (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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
CN-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 — — CN disclosed
WO-2022194248-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF 苏州国匡医药科技有限公司 2022-09-22 — — WO disclosed
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