SCHEMBL13006580

SCHEMBL13006580

CC(=O)N1[C@H](C)CN(c2cc(-n3nc(Nc4ccc(N)cc4)nc3N)ccn2)C[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.47
▸ KIT P10721 8/20 0.47
▸ AXL P30530 3/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ AURKA O14965 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ SORD Q00796 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL13007023 0.94 FLT3 (0.56) FLT3KITAXLBACE1AURKA
SCHEMBL3387357 0.94 FLT3 (0.56) FLT3KITAXLBACE1AURKA
SCHEMBL14275573 0.90 FLT3 (0.56) FLT3KITAXLBACE1JAK2
SCHEMBL13006581 0.88 FLT3 (0.46) FLT3KITAXLBACE1AURKA
SCHEMBL14275722 0.88 FLT3 (0.46) FLT3KITAXLBACE1AURKA
SCHEMBL14275718 0.88 AXL (0.46) FLT3KITAXLBACE1JAK2
SCHEMBL13006845 0.88 FLT3 (0.45) FLT3KITAXLBACE1AURKA
SCHEMBL14275725 0.88 FLT3 (0.45) FLT3KITAXLBACE1AURKA
SCHEMBL13006582 0.88 FLT3 (0.45) FLT3KITAXLBACE1WNT3A
SCHEMBL14275709 0.88 AXL (0.52) FLT3KITAXLBACE1AURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791830-B1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2010-12-29 — — EP disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
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