SCHEMBL2554560

SCHEMBL2554560

O=C(Nc1ncc(-c2cccc(F)c2)s1)C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.58
GSK3B P49841 3/20 0.58
DYRK1A Q13627 2/20 0.58
WNT1 P04628 1/20 0.58
F10 P00742 3/20 0.53
UCHL1 P09936 1/20 0.51
USP30 Q70CQ3 1/20 0.49
GSK3A P49840 2/20 0.48
KDR P35968 1/20 0.48
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ABL1 P00519 2/20 0.46
GSTO1 P78417 1/20 0.45
NPY5R Q15761 1/20 0.45
CDK5 Q00535 3/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CDK5R1 Q15078 2/20 0.45

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
SCHEMBL14332816 0.85 DYRK1A (0.46) MKNK1GSK3BDYRK1AWNT1F10
SCHEMBL2554133 0.84 MKNK1 (0.57) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL2560567 0.84 MKNK1 (0.57) MKNK1GSK3BDYRK1AWNT1F10
SCHEMBL19296044 0.83 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1F10
SCHEMBL2560426 0.83 GSK3B (0.62) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL2562533 0.83 GSK3B (0.60) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL2556872 0.83 GSK3B (0.60) MKNK1GSK3BDYRK1AWNT1UCHL1
Hydrochloric Acid SCHEMBL17632594 0.82 MKNK1 (0.63) MKNK1GSK3BDYRK1AWNT1F10
Hydrochloric Acid SCHEMBL17632596 0.82 MKNK1 (0.63) MKNK1GSK3BDYRK1AWNT1F10
SCHEMBL2554164 0.80 MKNK1 (0.55) MKNK1GSK3BDYRK1AWNT1UCHL1

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-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 WO claimed