SCHEMBL14097562

SCHEMBL14097562

CCNC(=O)Nc1nc2cc(-c3cnc(N)nc3)c(OC)cc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.59

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
SCHEMBL14097531 0.91 ABL1 (0.60) ABL1
SCHEMBL14097573 0.87 ABL1 (0.55) ABL1
SCHEMBL14097589 0.84 ABL1 (0.53) ABL1
SCHEMBL14097600 0.83 ABL1 (0.52) ABL1
SCHEMBL14097413 0.83 ABL1 (0.73) ABL1
SCHEMBL14097429 0.81 ABL1 (0.59) ABL1
SCHEMBL14097574 0.76 ABL1 (0.59) ABL1
SCHEMBL984872 0.74 ABL1 (0.45) ABL1
SCHEMBL14097426 0.73 ABL1 (0.56) ABL1
SCHEMBL10046818 0.73 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 4 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
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