SCHEMBL627162

SCHEMBL627162

CCN1CCN(CCNc2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.44
PIM1 P11309 6/20 0.44
ACP1 P24666 1/20 0.43
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ACKR3 P25106 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL624084 0.94 F2RL3 (0.45) F2RL3PIM1ACP1PIM3PIM2
SCHEMBL2253772 0.91 ACP1 (0.52) F2RL3PIM1ACP1PIM3PIM2
SCHEMBL1944702 0.90 PIM1 (0.55) F2RL3PIM1ACP1PIM3PIM2
SCHEMBL625517 0.90 PIM1 (0.47) F2RL3PIM1ACP1PIM3PIM2
SCHEMBL623029 0.87 ACKR3 (0.51) F2RL3PIM1ACP1IRAK4ACKR3
SCHEMBL1944086 0.84 F2RL3 (0.51) F2RL3PIM1IRAK4
SCHEMBL1944572 0.82 SCN9A (0.41) F2RL3PIM1ACP1IRAK4
SCHEMBL1945213 0.82 F2RL3 (0.46) F2RL3PIM1ACP1PIM3PIM2
SCHEMBL627161 0.82 PIM1 (0.56) PIM1PIM3PIM2
SCHEMBL1946084 0.81 F2RL3 (0.45) F2RL3PIM1ACP1IRAK4

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