SCHEMBL623029

SCHEMBL623029

CC(C)(C)OC(=O)N1CCN(CCNc2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.51
PIM1 P11309 2/20 0.42
ABHD6 Q9BV23 2/20 0.40
DAGLA Q9Y4D2 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
ACP1 P24666 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
VCP P55072 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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 0.88 F2RL3 (0.45) PIM1F2RL3ACP1IRAK4
SCHEMBL627162 0.87 F2RL3 (0.44) ACKR3PIM1F2RL3ACP1IRAK4
SCHEMBL624533 0.86 PIM1 (0.53) PIM1
SCHEMBL2253772 0.85 ACP1 (0.52) PIM1F2RL3ACP1
SCHEMBL623873 0.85 IDH1 (0.44) PIM1ABHD6DAGLA
SCHEMBL625517 0.84 PIM1 (0.47) PIM1F2RL3ACP1
SCHEMBL1944702 0.84 PIM1 (0.55) PIM1F2RL3ACP1
SCHEMBL623028 0.84 ACKR3 (0.54) ACKR3PIM1
SCHEMBL624454 0.83 PIM1 (0.45) PIM1ABHD6DAGLAF2RL3
SCHEMBL625496 0.82 PIM1 (0.39) PIM1ABHD6DAGLAF2RL3IRAK4

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