SCHEMBL14097427

SCHEMBL14097427

CCNC(=O)Nc1nc2cc(-c3cnc(N4CCOCC4)nc3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.52
▸ MTOR P42345 1/20 0.52
▸ PIK3CG P48736 1/20 0.52
▸ ABL1 P00519 13/20 0.51
▸ PIK3CD O00329 1/20 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
SCHEMBL14097444 0.92 ABL1 (0.54) ABL1
SCHEMBL14097625 0.90 ABL1 (0.52) PIK3CAABL1PIK3CD
SCHEMBL14097442 0.90 ABL1 (0.52) ABL1
SCHEMBL14097532 0.88 ABL1 (0.50) ABL1
SCHEMBL14097563 0.88 ABL1 (0.50) ABL1
SCHEMBL14097559 0.86 ABL1 (0.48) ABL1
SCHEMBL14097571 0.85 ABL1 (0.48) ABL1
SCHEMBL14097525 0.84 ABL1 (0.50) ABL1
SCHEMBL14097642 0.83 ABL1 (0.49) PIK3CAMTORPIK3CGABL1
SCHEMBL14097644 0.82 ABL1 (0.56) ABL1

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-7414046-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-19 — — US disclosed
US-7414046-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-19 — — US disclosed
US-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 — — US disclosed
US-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 — — US disclosed
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