SCHEMBL7134991

SCHEMBL7134991

COc1cc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ncnc(N)c23)ccc1NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.52
▸ KDR P35968 7/20 0.52
▸ PIK3CD O00329 4/20 0.52
▸ EGFR P00533 4/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ PIK3CG P48736 4/20 0.52
▸ PRKDC P78527 4/20 0.52
▸ PI4KB Q9UBF8 3/20 0.52
▸ BACE1 P56817 1/20 0.52
▸ LCK P06239 12/20 0.50
▸ RIPK1 Q13546 1/20 0.49
▸ SRC P12931 14/20 0.48
▸ TEK Q02763 7/20 0.48
▸ HCK P08631 5/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ MTOR P42345 3/20 0.47
▸ EPHB4 P54760 3/20 0.47
▸ LIMK1 P53667 1/20 0.47
▸ LIMK2 P53671 1/20 0.47
▸ PTK6 Q13882 4/20 0.46

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
SCHEMBL7134981 1.00 ABL1 (0.52) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL5801335 0.90 ABL1 (0.67) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL5803112 0.87 SRC (0.59) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL7703972 0.86 ABL1 (0.62) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL5813561 0.79 ABL1 (0.54) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL4820493 0.76 LCK (0.68) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL14617846 0.75 EGFR (0.60) KDRPIK3CDEGFRPIK3CAPIK3CG
SCHEMBL4826465 0.75 LCK (0.74) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL4826428 0.73 LCK (0.65) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL4824991 0.73 LCK (0.79) ABL1EGFRLCKSRCTEK

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
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
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