SCHEMBL452454

SCHEMBL452454

O=Cc1cn2nc(Br)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 19/20 0.40
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL15013253 0.81 SMN1; SMN2 (0.49) F2RL3CA12CA1CA2CA9
SCHEMBL1650295 0.75 F2RL3 (0.44) F2RL3
SCHEMBL452295 0.74 F2RL3 (0.46) F2RL3
SCHEMBL452503 0.72 F2RL3 (0.42) F2RL3
SCHEMBL31167885 0.67 F2RL3 (0.41) F2RL3
SCHEMBL19434320 0.65 TP53 (0.51) F2RL3CA12CA1CA2CA9
SCHEMBL19291869 0.64 TPH1 (0.31)
SCHEMBL3400110 0.61 SMN1; SMN2 (0.41)
SCHEMBL19306633 0.61 TP53 (0.55) F2RL3CA12CA1CA2CA9
SCHEMBL453907 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed