SCHEMBL624845

SCHEMBL624845

CCSc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 13/20 0.52
TP53 P04637 4/20 0.42
MAPT P10636 3/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
DYRK1A Q13627 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
SCHEMBL625574 0.88 F2RL3 (0.65) F2RL3
SCHEMBL624077 0.78 F2RL3 (0.50) F2RL3TP53MAPTGAADYRK1A
SCHEMBL625515 0.78 F2RL3 (0.50) F2RL3TP53MAPTNPC1ALOX15
SCHEMBL624844 0.78 PIM1 (0.52) DYRK1A
SCHEMBL1946612 0.77 F2RL3 (0.49) F2RL3TP53MAPTGAA
SCHEMBL1944086 0.76 F2RL3 (0.51) F2RL3TP53MAPTGAADYRK1A
SCHEMBL2983371 0.76 MEN1 (0.64) F2RL3MAPTDYRK1A
SCHEMBL14397224 0.76 F2RL3 (0.47) F2RL3TP53MAPTGAADYRK1A
SCHEMBL1945626 0.75 F2RL3 (0.47) F2RL3TP53MAPTNPC1PKM
SCHEMBL1945253 0.74 PIM1 (0.47) F2RL3

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed