SCHEMBL27990974

SCHEMBL27990974

NCc1cccc(NC(=O)c2cnc(N)cc2Nc2cccc(CN)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 1/20 0.52
▸ PRKCI P41743 1/20 0.47
▸ BPTF Q12830 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ JAK3 P52333 1/20 0.41

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
SCHEMBL15059636 0.83 SMN1; SMN2 (0.54) —
SCHEMBL27484183 0.74 FADS1 (0.60) AURKB
SCHEMBL17538569 0.71 ALDH1A1 (0.63) AURKB
SCHEMBL27803860 0.71 AURKB (0.57) AURKBPRKCI
SCHEMBL27929422 0.71 AURKB (0.51) AURKBPRKCI
SCHEMBL23367948 0.70 SMN1; SMN2 (0.68) AURKB
SCHEMBL27952999 0.70 AURKB (0.56) AURKB
SCHEMBL28956237 0.70 KMT2A (0.57) AURKB
SCHEMBL546885 0.70 AURKB (0.69) AURKBPRKCI
SCHEMBL27795055 0.69 PLG (0.60) AURKB

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
CN-104125947-A Heterocyclic urea compounds BIOTA EUROPE LTD 2014-10-29 — — CN disclosed
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