SCHEMBL22280477

SCHEMBL22280477

SCc1ccc(Nc2ccccc2Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.49
JAK2 O60674 7/20 0.48
JAK1 P23458 7/20 0.48
TYK2 P29597 7/20 0.48
JAK3 P52333 7/20 0.48
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
TSHR P16473 1/20 0.40
IGF1R P08069 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL22266118 0.72 FLT3 (0.54) JAK2JAK1TYK2JAK3MAPT
SCHEMBL11566527 0.71 HCAR3 (0.65) JAK2JAK1TYK2JAK3MAPT
SCHEMBL7985717 0.71 KMT2A (0.73) JAK2JAK1TYK2JAK3MAPT
SCHEMBL4347258 0.70 MEN1 (0.49) CNR2JAK2JAK1TYK2JAK3
SCHEMBL28864027 0.69 KMT2A (0.70) JAK2JAK1TYK2JAK3MAPT
SCHEMBL22280476 0.68 AURKA (0.45) CNR2JAK2JAK1TYK2JAK3
SCHEMBL22265584 0.68 F10 (0.49) JAK2JAK1TYK2JAK3MAPT
SCHEMBL22265582 0.68 F10 (0.49) JAK2JAK1TYK2JAK3MAPT
SCHEMBL22280304 0.67 CNR2 (0.38) CNR2JAK2JAK1TYK2JAK3
SCHEMBL6662458 0.67 KDM4E (0.63) JAK2JAK1TYK2JAK3RAB9A

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed