SCHEMBL14097501

SCHEMBL14097501

CCNC(=O)Nc1nc2nc(-n3cnc(C(=O)NC(C)=O)c3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14097654 0.88 KDM4E (0.44) ABL1
SCHEMBL14097653 0.87 MEN1 (0.47) ABL1MEN1MAPTKMT2A
SCHEMBL14207569 0.86 CYP2C19 (0.47) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL14097468 0.79 ABL1 (0.40) ABL1
SCHEMBL14097788 0.71 ABL1 (0.42) ABL1
SCHEMBL14097615 0.70 ABL1 (0.49) ABL1
SCHEMBL14097655 0.70 ABL1 (0.43) ABL1
SCHEMBL14097658 0.69 ABL1 (0.42) ABL1
SCHEMBL14097656 0.69 MLLT3 (0.46) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL14097616 0.69 ABL1 (0.48) 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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