SCHEMBL18809306

SCHEMBL18809306

CCCCCNCCCNc1cc(C(=O)O)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 2/20 0.50
▸ HCAR3 P49019 5/20 0.49
▸ KMO O15229 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ HCAR2 Q8TDS4 2/20 0.37
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ RIOX2 Q8IUF8 1/20 0.36
▸ KDM8 Q8N371 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 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
SCHEMBL13472394 0.81 CYP1A2 (0.47) DNM2HCAR3KMOKDM4DKDM4E
SCHEMBL13472364 0.80 KDM4D (0.57) DNM2HCAR3KMOKDM4DKDM4E
SCHEMBL13472391 0.78 SMN1; SMN2 (0.43) DNM2HCAR3KMOKDM4DKDM4E
SCHEMBL13472396 0.78 DNM2 (0.44) DNM2HCAR3KMOKDM4DKDM4E
SCHEMBL13472374 0.78 DNM2 (0.52) DNM2KMOKDM4DKDM4EALDH1A1
SCHEMBL13472370 0.78 KMO (0.48) HCAR3KMOHCAR2
SCHEMBL13472375 0.76 KMO (0.47) KMOKDM4DKDM4E
SCHEMBL13472365 0.76 KMO (0.47) KMOKDM4DMAP4K4CLK4
SCHEMBL13472404 0.74 STK17B (0.49) —
SCHEMBL13472590 0.74 CYP1A2 (0.55) KMOKDM4DKDM4ECLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167489-B1 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2017-05-03 — — EP disclosed
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