SCHEMBL14097654

SCHEMBL14097654

CCNC(=O)Nc1nc2nc(-n3cnc(C(=O)O)c3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ABL1 P00519 14/20 0.43

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
SCHEMBL14097653 0.90 MEN1 (0.47) ABL1
SCHEMBL14097501 0.88 ABL1 (0.38) ABL1
SCHEMBL14207569 0.86 CYP2C19 (0.47) ABL1
SCHEMBL14097615 0.81 ABL1 (0.49) ABL1
SCHEMBL5081749 0.79 ABL1 (0.57) ABL1
SCHEMBL14097720 0.79 ABL1 (0.57) ABL1
SCHEMBL14097616 0.71 ABL1 (0.48) ABL1
SCHEMBL14097670 0.71 ABL1 (0.43) ABL1
SCHEMBL5081745 0.71 ABL1 (0.47) ABL1
SCHEMBL14097468 0.71 ABL1 (0.40) 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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