SCHEMBL22280304

SCHEMBL22280304

Clc1ccccc1Nc1ccc(-c2ncon2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
IGF1R P08069 1/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 4/20 0.38
JAK3 P52333 4/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
TTK P33981 2/20 0.38
AURKA O14965 2/20 0.37
KMO O15229 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 1/20 0.37
TEK Q02763 1/20 0.37
MAPK11 Q15759 1/20 0.36

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
SCHEMBL22280302 0.72 HDAC4 (0.40) CNR2JAK2JAK1TYK2JAK3
SCHEMBL22280558 0.70 NR1H4 (0.47) CNR2CCNA2CDK2TTKAURKA
SCHEMBL22280448 0.70 NR1H4 (0.47) CNR2CCNA2CDK2TTKAURKA
Hydrochloric Acid SCHEMBL22266083 0.69 NR1H4 (0.47) CNR2CCNA2CDK2TTKAURKA
SCHEMBL11566527 0.69 HCAR3 (0.65) JAK2JAK1TYK2JAK3AURKA
SCHEMBL22280478 0.69 KDM4E (0.42) TYK2MAPTRAB9AKMT2A
SCHEMBL22266118 0.67 FLT3 (0.54) IGF1RJAK2JAK1TYK2JAK3
SCHEMBL22280477 0.67 CNR2 (0.49) CNR2IGF1RJAK2JAK1TYK2
SCHEMBL22265582 0.66 F10 (0.49) JAK2JAK1TYK2JAK3AURKA
SCHEMBL22265584 0.66 F10 (0.49) JAK2JAK1TYK2JAK3AURKA

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