SCHEMBL22280476

SCHEMBL22280476

NC(CNO)c1ccc(Nc2ccccc2Cl)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
JAK2 O60674 9/20 0.41
JAK1 P23458 9/20 0.41
TYK2 P29597 9/20 0.41
JAK3 P52333 9/20 0.41
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 3/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL22280456 0.75 IGF1R (0.33)
SCHEMBL22280630 0.74 GRM5 (0.41) MAPTRAB9AHDAC3HDAC1HDAC2
SCHEMBL22280554 0.70 KDM4E (0.41) AURKATYK2MAPTHDAC3HDAC6
SCHEMBL22280477 0.68 CNR2 (0.49) AURKAJAK2JAK1TYK2JAK3
SCHEMBL11566527 0.67 HCAR3 (0.65) AURKAJAK2JAK1TYK2JAK3
SCHEMBL22265582 0.67 F10 (0.49) AURKAJAK2JAK1TYK2JAK3
SCHEMBL22265584 0.67 F10 (0.49) AURKAJAK2JAK1TYK2JAK3
SCHEMBL22266118 0.65 FLT3 (0.54) JAK2JAK1TYK2JAK3MAPT
SCHEMBL7985717 0.64 KMT2A (0.73) AURKAJAK2JAK1TYK2JAK3
SCHEMBL4347258 0.64 MEN1 (0.49) AURKAJAK2JAK1TYK2JAK3

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