SCHEMBL14097407

SCHEMBL14097407

CCNC(=O)Nc1nc2cc(-c3cnc(N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)nc3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.47

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
SCHEMBL14138155 1.00 ABL1 (0.47) ABL1
SCHEMBL14138240 0.89 LCK (0.36) ABL1
SCHEMBL14097490 0.89 LCK (0.36) ABL1
SCHEMBL14097411 0.87 BCHE (0.34) ABL1
SCHEMBL14138378 0.84 LIPG (0.34) —
SCHEMBL14138220 0.84 LIPG (0.34) —
SCHEMBL14097504 0.82 ABL1 (0.50) ABL1
SCHEMBL14097420 0.82 ABL1 (0.57) ABL1
SCHEMBL14138355 0.82 ABL1 (0.57) ABL1
SCHEMBL14097445 0.79 ABL1 (0.58) 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 3 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
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