SCHEMBL14097641

SCHEMBL14097641

CCNC(=O)Nc1nc2cc(-n3cc(C(=O)NCc4cccnc4)cn3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.53
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL14097637 0.83 ABL1 (0.50) ABL1
SCHEMBL14097639 0.83 ABL1 (0.46) ABL1
SCHEMBL14097621 0.83 ABL1 (0.52) ABL1
SCHEMBL14097499 0.76 ABL1 (0.63) ABL1
SCHEMBL14097640 0.76 PDE10A (0.45) ABL1
SCHEMBL14097547 0.75 ABL1 (0.86) ABL1
SCHEMBL1680339 0.70 PRMT5 (0.57) MEN1KMT2A
SCHEMBL8997571 0.69 ABL1 (0.59) ABL1
SCHEMBL12666902 0.68 ABL1 (0.60) ABL1KMT2A
SCHEMBL14097671 0.68 ABL1 (0.49) 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 2 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-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 — — US disclosed
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