SCHEMBL29115849

SCHEMBL29115849

Cc1c(-c2cnc3ccccc3c2)ccnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.52
▸ PARP11 Q9NR21 1/20 0.52
▸ PDGFRB P09619 3/20 0.50
▸ PDGFRA P16234 3/20 0.50
▸ CYP2A6 P11509 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ NISCH Q9Y2I1 1/20 0.43
▸ BIRC5 O15392 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CSNK1G2 P78368 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42
▸ BMPR1B O00238 1/20 0.41
▸ PIK3C2G O75747 1/20 0.41
▸ CDKL5 O76039 1/20 0.41
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL30718223 1.00 PARP10 (0.52) PARP10PARP11PDGFRBPDGFRACYP2A6
SCHEMBL15367344 0.78 PDGFRB (0.51) PARP10PARP11PDGFRBPDGFRACYP2A6
SCHEMBL29932029 0.77 PIK3CA (0.49) PARP10PARP11PDGFRBPDGFRACYP2A6
SCHEMBL27029524 0.77 PIK3CA (0.49) PARP10PARP11PDGFRBPDGFRACYP2A6
SCHEMBL24732485 0.76 PDGFRB (0.55) PARP10PARP11PDGFRBPDGFRACYP2A6
SCHEMBL12765339 0.76 CHEK1 (0.45) PARP10PARP11CYP2A6CYP1A2PIK3CA
SCHEMBL31428879 0.75 PDGFRB (0.57) PDGFRBPDGFRACYP2A6CYP1A2NISCH
SCHEMBL20873052 0.75 PDGFRB (0.57) PDGFRBPDGFRACYP2A6CYP1A2NISCH
SCHEMBL30345250 0.75 PDGFRB (0.57) PDGFRBPDGFRACYP2A6CYP1A2NISCH
SCHEMBL29375329 0.74 CYP1A2 (0.56) PARP10PARP11PDGFRBPDGFRACYP2A6

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
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
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