SCHEMBL625517

SCHEMBL625517

FC(F)(F)Oc1cccc(-c2cn3nc(NCCN4CCNCC4)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.47
ACP1 P24666 1/20 0.43
F2RL3 Q96RI0 3/20 0.42
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 2/20 0.40
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
TYRO3 Q06418 1/20 0.38
IKBKB O14920 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GAK O14976 1/20 0.37
STK10 O94804 1/20 0.37
YES1 P07947 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
CSNK2A2 P19784 1/20 0.37
FLT3 P36888 1/20 0.37
ACVR1 Q04771 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
SCHEMBL2253772 0.91 ACP1 (0.52) PIM1ACP1F2RL3PIM3PIM2
SCHEMBL624084 0.90 F2RL3 (0.45) PIM1ACP1F2RL3KCNH2PIM3
SCHEMBL1944702 0.90 PIM1 (0.55) PIM1ACP1F2RL3PIM3PIM2
SCHEMBL627162 0.90 F2RL3 (0.44) PIM1ACP1F2RL3PIM3PIM2
SCHEMBL1944572 0.86 SCN9A (0.41) PIM1ACP1F2RL3SYK
SCHEMBL623029 0.84 ACKR3 (0.51) PIM1ACP1F2RL3
SCHEMBL625504 0.83 PIM1 (0.56) PIM1F2RL3KCNH2PIM3PIM2
SCHEMBL625516 0.82 PIM1 (0.57) PIM1KCNH2PIM3PIM2GAK
SCHEMBL1944086 0.82 F2RL3 (0.51) PIM1F2RL3SYK
SCHEMBL1945213 0.82 F2RL3 (0.46) PIM1ACP1F2RL3PIM3PIM2

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