SCHEMBL2556872

SCHEMBL2556872

O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.60
DYRK1A Q13627 5/20 0.60
WNT1 P04628 2/20 0.60
MKNK1 Q9BUB5 2/20 0.55
ABL1 P00519 1/20 0.53
CNR1 P21554 1/20 0.52
LIMK1 P53667 1/20 0.48
LIMK2 P53671 1/20 0.48
UCHL1 P09936 2/20 0.47
FFAR2 O15552 1/20 0.47
CIT O14578 1/20 0.46
CASK O14936 1/20 0.46
AURKA O14965 1/20 0.46
GAK O14976 1/20 0.46
DCLK1 O15075 1/20 0.46
MAP3K7 O43318 1/20 0.46
CCNT1 O60563 1/20 0.46
ULK1 O75385 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PAK3 O75914 1/20 0.46

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
SCHEMBL2560426 0.88 GSK3B (0.62) GSK3BDYRK1AWNT1MKNK1ABL1
SCHEMBL2562533 0.88 GSK3B (0.60) GSK3BDYRK1AWNT1MKNK1ABL1
SCHEMBL2554560 0.83 MKNK1 (0.58) GSK3BDYRK1AWNT1MKNK1ABL1
SCHEMBL2554227 0.81 STK17B (0.61) GSK3BDYRK1AWNT1MKNK1CIT
SCHEMBL19296044 0.81 MKNK1 (0.64) GSK3BDYRK1AWNT1MKNK1CNR1
SCHEMBL2560567 0.80 MKNK1 (0.57) GSK3BDYRK1AWNT1MKNK1ABL1
SCHEMBL2554133 0.80 MKNK1 (0.57) GSK3BDYRK1AWNT1MKNK1LIMK1
Hydrochloric Acid SCHEMBL17632594 0.80 MKNK1 (0.63) GSK3BDYRK1AWNT1MKNK1CNR1
Hydrochloric Acid SCHEMBL17632596 0.80 MKNK1 (0.63) GSK3BDYRK1AWNT1MKNK1CNR1
SCHEMBL17632481 0.79 UCHL1 (0.62) GSK3BDYRK1AWNT1MKNK1ABL1

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