SCHEMBL14097515

SCHEMBL14097515

CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C#N)c2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.67

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
SCHEMBL14097631 0.86 ABL1 (0.69) ABL1
SCHEMBL14097433 0.86 ABL1 (0.69) ABL1
SCHEMBL14097578 0.85 ABL1 (0.68) ABL1
SCHEMBL14097510 0.85 ABL1 (0.68) ABL1
SCHEMBL14395166 0.85 ABL1 (0.68) ABL1
SCHEMBL14097528 0.85 ABL1 (0.68) ABL1
SCHEMBL12630348 0.84 ABL1 (0.67) ABL1
SCHEMBL14097523 0.84 ABL1 (0.67) ABL1
SCHEMBL14097519 0.83 ABL1 (0.66) ABL1
SCHEMBL12630342 0.83 ABL1 (0.66) 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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