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SCHEMBL14097673

SCHEMBL14097673

CCNC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)c(F)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL14097656 0.84 MLLT3 (0.46) ABL1SMYD3
SCHEMBL14207569 0.78 CYP2C19 (0.47) ABL1SMYD3
SCHEMBL8998112 0.76 MLLT3 (0.40) ABL1SMYD3
SCHEMBL8997109 0.75 MLLT3 (0.38) ABL1SMYD3
SCHEMBL8997734 0.74 MLLT3 (0.40) ABL1
SCHEMBL14097670 0.72 ABL1 (0.43) ABL1
SCHEMBL14097655 0.71 ABL1 (0.43) ABL1
SCHEMBL5081749 0.70 ABL1 (0.57) ABL1
SCHEMBL14097615 0.70 ABL1 (0.49) ABL1
SCHEMBL14097720 0.70 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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