SCHEMBL28464053

SCHEMBL28464053

OB(O)c1nc(-c2cnc3ccccc3c2)nc(-c2cnc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.50
▸ PDGFRA P16234 4/20 0.50
▸ PIK3CD O00329 2/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ MAP4K4 O95819 1/20 0.48
▸ CSNK1G2 P78368 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ MAP4K5 Q9Y4K4 1/20 0.48
▸ CYP2A6 P11509 1/20 0.47
▸ BIRC5 O15392 1/20 0.46
▸ MGAM O43451 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ NISCH Q9Y2I1 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 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
SCHEMBL30039372 1.00 PDGFRB (0.50) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL28572320 0.97 MAP4K4 (0.49) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL17944740 0.80 PDGFRB (0.61) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL30600018 0.77 ESR1 (0.52) CYP1A2CA1CA2CA9ALDH1A1
SCHEMBL14603340 0.77 L3MBTL1 (0.52) CA1CA2NPC1MAPTRAB9A
SCHEMBL2772360 0.76 PDGFRB (0.77) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL32667946 0.76 PDGFRB (0.77) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL12580411 0.76 PDGFRB (0.66) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL12580402 0.76 PDGFRB (0.66) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4
SCHEMBL12580362 0.76 PDGFRB (0.66) PDGFRBPDGFRAPIK3CDPIK3CAMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909171-B Electron transport material and application thereof 北京燕化集联光电技术有限公司 2022-12-09 — — CN disclosed
CN-112778312-B Organic material containing indoloquinazolinedione heterocyclic structure and application thereof 北京燕化集联光电技术有限公司 2022-12-02 — — CN disclosed
CN-112079867-B P-containing multi-heterocyclic structure compound and application thereof 北京燕化集联光电技术有限公司 2022-11-11 — — CN disclosed
CN-112194663-B Novel electronic transmission material and application thereof 北京燕化集联光电技术有限公司 2021-11-09 — — CN disclosed
CN-111662309-B Compound with multi-heterocyclic structure and application thereof 北京燕化集联光电技术有限公司 2021-11-09 — — CN disclosed
CN-111747961-B Compound containing multiple heterocycles and application 北京燕化集联光电技术有限公司 2021-11-02 — — CN disclosed
CN-112778312-A Organic material containing indoloquinazolinedione heterocyclic structure and application thereof 北京燕化集联光电技术有限公司 2021-05-11 — — CN disclosed
CN-112521374-A Novel organic material and application thereof 北京燕化集联光电技术有限公司 2021-03-19 — — CN disclosed
CN-112194663-A Novel electronic transmission material and application thereof 北京燕化集联光电技术有限公司 2021-01-08 — — CN disclosed
CN-112079867-A P-containing multi-heterocyclic structure compound and application thereof 北京燕化集联光电技术有限公司 2020-12-15 — — CN disclosed
CN-111909171-A Novel electronic transmission material and application thereof 北京燕化集联光电技术有限公司 2020-11-10 — — CN disclosed
CN-111747961-A Compound containing multiple heterocycles and application 北京燕化集联光电技术有限公司 2020-10-09 — — CN disclosed
CN-111662309-A Compound with multi-heterocyclic structure and application thereof 北京燕化集联光电技术有限公司 2020-09-15 — — CN disclosed
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