SCHEMBL624527

SCHEMBL624527

CC(C)(C)OC(=O)N1CCC2(CCCN(c3nn4c(-c5cccc(OC(F)(F)F)c5)cnc4s3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.43
DYRK1A Q13627 4/20 0.41
KCNH2 Q12809 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
RET P07949 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL623995 0.96 PIM1 (0.44) PIM1DYRK1AKCNH2RET
SCHEMBL625511 0.92 PIM1 (0.45) PIM1DYRK1AKCNH2
SCHEMBL624528 0.86 CYP3A4 (0.41) TSHRCYP3A4MEN1USP2KMT2A
SCHEMBL626627 0.85 PIM1 (0.45) PIM1DYRK1AKCNH2CYP3A4USP2
SCHEMBL625495 0.82 PIM1 (0.46) PIM1KCNH2RET
SCHEMBL625741 0.82 PIM1 (0.45) PIM1DYRK1A
SCHEMBL623996 0.82 THRB (0.42) PIM1RET
SCHEMBL623206 0.82 PIM1 (0.47) PIM1DYRK1AKCNH2
SCHEMBL626122 0.81 PIK3CA (0.45) PIM1KCNH2RET
SCHEMBL627421 0.79 RET (0.44) TSHRCYP3A4USP2CYP1A2CYP2D6

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