SCHEMBL18248461

SCHEMBL18248461

O=c1[nH]c(Cl)nc2sccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
KRAS P01116 2/20 0.51
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
KDR P35968 1/20 0.50
MAP2K2 P36507 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK8 P45983 1/20 0.50
CSNK1A1 P48729 1/20 0.50

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
SCHEMBL19090050 0.78 KMT2A (0.58) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL654124 0.78 DYRK1A (0.59) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL655888 0.78 KMT2A (0.63) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL16179032 0.77 KMT2A (0.54) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL18689704 0.74 KMT2A (0.54) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL20668043 0.74 KMT2A (0.58) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL3265242 0.74 KMT2A (1.00) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL20585318 0.74 KMT2A (0.54) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL18701480 0.74 KMT2A (0.62) KMT2AKRASCHEK1AURKADAPK3
SCHEMBL8187452 0.74 SPR (0.54) KMT2AKRASCHEK1AURKADAPK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3726989-A1 USE OF FUNGICIDES FOR CONTROLLING MOSAIC SCAB IN APPLES Bayer Aktiengesellschaft (DE) 2020-10-28 EP disclosed
EP-3297439-A1 METHOD FOR TREATING COFFEE RUST, CITRUS BLACK SPOT, CITRUS SCAB AND BANANA BLACK SIGATOKA DISEASES Bayer CropScience Aktiengesellschaft (DE) 2018-03-28 EP disclosed
WO-2016184879-A1 METHOD FOR TREATING COFFEE RUST, CITRUS BLACK SPOT, CITRUS SCAB AND BANANA BLACK SIGATOKA DISEASES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-24 WO disclosed