SCHEMBL14097518

SCHEMBL14097518

CCNC(=O)Nc1nc2cc(-c3cnc(NCCC4CCCN4C)nc3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.44
▸ BRAF P15056 1/20 0.44
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41

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
SCHEMBL14097431 0.86 ABL1 (0.49) ABL1
SCHEMBL14097445 0.82 ABL1 (0.58) ABL1
SCHEMBL14097512 0.80 ABL1 (0.50) ABL1
SCHEMBL14097432 0.80 ABL1 (0.52) ABL1
SCHEMBL14097416 0.79 ABL1 (0.53) ABL1
SCHEMBL14097572 0.78 ABL1 (0.45) ABL1
SCHEMBL14097444 0.78 ABL1 (0.54) ABL1
SCHEMBL14097405 0.78 ABL1 (0.57) ABL1
SCHEMBL14097421 0.78 ABL1 (0.46) ABL1
SCHEMBL14097563 0.76 ABL1 (0.50) 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 5 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
EP-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 — — EP disclosed
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