SCHEMBL14097445

SCHEMBL14097445

CCNC(=O)Nc1nc2cc(-c3cnc(NCC)nc3)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.58

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
SCHEMBL14097405 0.92 ABL1 (0.57) ABL1
SCHEMBL14097429 0.88 ABL1 (0.59) ABL1
SCHEMBL14097512 0.88 ABL1 (0.50) ABL1
SCHEMBL14097422 0.88 ABL1 (0.55) ABL1
SCHEMBL14097416 0.87 ABL1 (0.53) ABL1
SCHEMBL14097430 0.87 ABL1 (0.63) ABL1
SCHEMBL14097431 0.87 ABL1 (0.49) ABL1
SCHEMBL14097499 0.87 ABL1 (0.63) ABL1
SCHEMBL14097424 0.87 GSK3B (0.53) ABL1
SCHEMBL14097487 0.86 ABL1 (0.57) 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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