SCHEMBL11717633

SCHEMBL11717633

Cn1nc(-c2ccc([N+](=O)[O-])o2)c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 12/20 0.49
▸ PIK3CA P42336 12/20 0.49
▸ PIK3CB P42338 12/20 0.49
▸ PIK3CG P48736 12/20 0.49
▸ PRKDC P78527 12/20 0.49
▸ ABL1 P00519 9/20 0.48
▸ EGFR P00533 9/20 0.48
▸ HCK P08631 9/20 0.48
▸ SRC P12931 9/20 0.48
▸ MTOR P42345 9/20 0.48
▸ EPHB4 P54760 9/20 0.48
▸ KDR P35968 8/20 0.48
▸ PI4KB Q9UBF8 2/20 0.47
▸ NUDT14 O95848 1/20 0.45
▸ NUDT5 Q9UKK9 1/20 0.45
▸ RET P07949 3/20 0.43
▸ AURKA O14965 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ RIPK1 Q13546 2/20 0.37

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
SCHEMBL11717995 0.86 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11716973 0.84 PDE2A (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11716880 0.84 PDE2A (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11713714 0.82 SLC2A1 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11720860 0.81 PKM (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11770601 0.81 PDE2A (0.45) —
SCHEMBL11721578 0.81 PDE2A (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11721437 0.80 PDE2A (0.47) —
SCHEMBL11714837 0.80 MTOR (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11718023 0.80 ABL1 (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4044130-A ANIMAL FEED, 4-AMINO-3-5-NITRO-2-FURYL-1H-PYRAZOLO-3,4-D PYRIMIDINE N CIBA-GEIGY CORPORATION (US) 1977-08-23 — — US disclosed
US-4044130-A ANIMAL FEED, 4-AMINO-3-5-NITRO-2-FURYL-1H-PYRAZOLO-3,4-D PYRIMIDINE N CIBA-GEIGY CORPORATION (US) 1977-08-23 — — US disclosed
US-4001230-A ANTIBACTERIAL, ANTIPROTAZOAL ELI LILLY AND COMPANY (US) 1977-01-04 — — US disclosed
US-3948913-A PYRAZOLO(3,4-D)PYRIMIDINES; ANTIMICROBIAL CIBA-GEIGY CORPORATION (US) 1976-04-06 — — US disclosed
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