SCHEMBL9828753

SCHEMBL9828753

O=C1NC(=O)C(c2ccc3ncccc3c2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ PIK3CD O00329 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ HASPIN Q8TF76 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ MYLK2 Q9H1R3 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL2829814 0.79 TDP1 (0.54) TDP1GAAALDH1A1MAPTKDM4E
SCHEMBL10631855 0.74 TDP1 (0.49) POLBSMN1; SMN2TDP1GAANPC1
SCHEMBL14467196 0.72 DAO (0.48) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL13527924 0.72 TDP1 (0.80) TDP1GAANPC1ALDH1A1MAPT
SCHEMBL29940279 0.72 IDO1 (0.57) POLBSMN1; SMN2MAPK1DYRK1ANPC1
SCHEMBL28286305 0.72 IDO1 (0.57) POLBSMN1; SMN2MAPK1DYRK1ANPC1
SCHEMBL10631932 0.71 TDP1 (0.46) POLBTDP1GAAALDH1A1MAPT
SCHEMBL5140354 0.71 POLB (0.44) POLBSMN1; SMN2MAPK1PIK3CDPIM1
SCHEMBL22048054 0.71 IDO1 (0.48) POLBSMN1; SMN2MAPK1PIK3CDPIM1
SCHEMBL13948553 0.70 TDP1 (0.36) TDP1PIK3CDPIM1CSNK2A2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1015262-B The method for preparing β-Nei Xiananleikangshengsu BAYER AG (DE) 1992-01-01 — — CN disclosed
EP-0197294-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1991-04-03 — — EP disclosed
US-4734407-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US disclosed
EP-0197294-A2 Beta-lactam antibiotics, process for their preparation and their use as medicaments BAYER AG (DE) 1986-10-15 — — EP disclosed
CN-86101695-A Prepare the method for β-Nei Xiananleikangshengsu and the application in medicine thereof — 1986-09-10 — — CN disclosed
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