SCHEMBL14097403

SCHEMBL14097403

CCNC(=O)Nc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.60

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
SCHEMBL14097557 0.87 ABL1 (0.67) ABL1
SCHEMBL14097435 0.83 ABL1 (0.60) ABL1
SCHEMBL5075903 0.82 ABL1 (0.82) ABL1
SCHEMBL14097418 0.82 ABL1 (0.49) ABL1
SCHEMBL14395370 0.82 ABL1 (0.51) ABL1
SCHEMBL14097621 0.81 ABL1 (0.52) ABL1
SCHEMBL6320497 0.80 LMNA (0.62) ABL1
SCHEMBL2671311 0.79 AKR1C3 (0.50) ABL1
SCHEMBL14097659 0.79 ABL1 (0.56) ABL1
SCHEMBL5382759 0.79 ABL1 (0.65) 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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