SCHEMBL625477

SCHEMBL625477

COc1cncc(-c2cn3nc(NCC4CCN(S(C)(=O)=O)CC4)sc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.50
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
F2RL3 Q96RI0 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 7/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 2/20 0.37
ACP1 P24666 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
SCHEMBL1945185 0.89 FYN (0.58) FYNF2RL3CA12CA1CA2
SCHEMBL624431 0.87 FYN (0.48) FYNPIK3R1PIK3CAF2RL3CA12
SCHEMBL1947142 0.85 FYN (0.68) FYNF2RL3
SCHEMBL624392 0.85 FYN (0.54) FYNF2RL3
SCHEMBL625476 0.83 FYN (0.73) FYNPIK3CA
SCHEMBL625601 0.82 FYN (0.53) FYNACP1
SCHEMBL625600 0.82 FYN (0.53) FYNACP1
SCHEMBL624837 0.80 PIM1 (0.47) F2RL3
SCHEMBL625027 0.78 CA12 (0.42) FYNPIK3CAF2RL3CA12CA1
SCHEMBL626460 0.77 MAPT (0.46) FYNF2RL3MAPTTP53

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed