SCHEMBL14097624

SCHEMBL14097624

CCNC(=O)Nc1nc2cc(-c3cccnc3)c(N3CCOCC3)cc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.65

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
SCHEMBL14097649 0.93 ABL1 (0.69) ABL1
SCHEMBL14097646 0.92 ABL1 (0.68) ABL1
SCHEMBL14097576 0.82 ABL1 (0.76) ABL1
SCHEMBL14097438 0.81 ABL1 (0.74) ABL1
SCHEMBL14097413 0.81 ABL1 (0.73) ABL1
SCHEMBL14097547 0.80 ABL1 (0.86) ABL1
SCHEMBL14097642 0.77 ABL1 (0.49) ABL1
SCHEMBL14097625 0.77 ABL1 (0.52) ABL1
SCHEMBL14097427 0.76 PIK3CA (0.52) ABL1
SCHEMBL8998572 0.75 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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