SCHEMBL13006582

SCHEMBL13006582

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.45
▸ KIT P10721 6/20 0.45
▸ AXL P30530 2/20 0.44
▸ BACE1 P56817 1/20 0.42
▸ WNT3A P56704 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL14275726 0.93 FLT3 (0.45) FLT3KITAXLBACE1WNT3A
SCHEMBL13007023 0.90 FLT3 (0.56) FLT3KITAXLBACE1WNT3A
SCHEMBL3387357 0.90 FLT3 (0.56) FLT3KITAXLBACE1WNT3A
SCHEMBL14275708 0.89 AXL (0.46) FLT3KITAXLBACE1WNT3A
SCHEMBL13006581 0.88 FLT3 (0.46) FLT3KITAXLBACE1WNT3A
SCHEMBL13006580 0.88 FLT3 (0.47) FLT3KITAXLBACE1WNT3A
SCHEMBL13006845 0.88 FLT3 (0.45) FLT3KITAXLBACE1WNT3A
SCHEMBL14275718 0.87 AXL (0.46) FLT3KITAXLBACE1WNT3A
SCHEMBL14275709 0.86 AXL (0.52) FLT3KITAXLBACE1WNT3A
SCHEMBL14275720 0.85 AXL (0.45) FLT3KITAXLBACE1WNT3A

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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