SCHEMBL14097705

SCHEMBL14097705

CCNC(=O)Nc1nc2cc(-c3cccnc3)c(C)c(C#N)c2o1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.48

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
SCHEMBL14097694 0.84 ABL1 (0.52) ABL1
SCHEMBL14097683 0.79 ABL1 (0.52) ABL1
SCHEMBL14097682 0.75 ABL1 (0.60) ABL1
SCHEMBL14097593 0.71 ABL1 (0.66) ABL1
SCHEMBL14097708 0.71 ABL1 (0.48) ABL1
SCHEMBL14395509 0.71 SMN1; SMN2 (0.41) ABL1
SCHEMBL14097703 0.70 LRRK2 (0.40) ABL1
SCHEMBL14395390 0.70 ABL1 (0.41) ABL1
SCHEMBL14097576 0.69 ABL1 (0.76) ABL1
SCHEMBL14097710 0.69 ABL1 (0.46) 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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