SCHEMBL14097707

SCHEMBL14097707

CCNC(=O)Nc1nc2cc(-n3cnc(C(=O)O)c3)cc(C)c2o1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL14097689 0.81 ABL1 (0.37) ABL1KDM4EMEN1MAPTKMT2A
SCHEMBL14097690 0.75 FGFR1 (0.40) ABL1
SCHEMBL14097615 0.71 ABL1 (0.49) ABL1
SCHEMBL14097686 0.70 ABL1 (0.40) ABL1
SCHEMBL14395390 0.70 ABL1 (0.41) ABL1
SCHEMBL14097692 0.69 ABL1 (0.40) ABL1
SCHEMBL14097720 0.69 ABL1 (0.57) ABL1
SCHEMBL5081749 0.69 ABL1 (0.57) ABL1
SCHEMBL14097698 0.69 ABL1 (0.39) ABL1
SCHEMBL14097693 0.67 ABL1 (0.43) ABL1MEN1MAPTKMT2A

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
Send feedback