SCHEMBL14097412

SCHEMBL14097412

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 0.45
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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 0.90 ABL1 (0.57) ABL1
SCHEMBL14097408 0.87 ABL1 (0.39) ABL1KDM4ENPC1MAPTRAB9A
SCHEMBL14097464 0.83 TUBB4A (0.40) ABL1
SCHEMBL14097445 0.82 ABL1 (0.58) ABL1
SCHEMBL14097401 0.80 ABL1 (0.61) ABL1KDM4ENPC1MAPTRAB9A
SCHEMBL14097400 0.76 ABL1 (0.66) ABL1KDM4ENPC1MAPTRAB9A
SCHEMBL14097749 0.75 BCHE (0.39) ABL1NPC1RAB9A
SCHEMBL14097422 0.75 ABL1 (0.55) ABL1
SCHEMBL14097512 0.75 ABL1 (0.50) ABL1
SCHEMBL14097429 0.74 ABL1 (0.59) 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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