SCHEMBL30078099

SCHEMBL30078099

CSc1[nH]nc(C(N)=O)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
KEAP1 Q14145 1/20 0.41
HAO2 Q9NYQ3 1/20 0.40
GAK O14976 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MARK1 Q9P0L2 1/20 0.37
STK17A Q9UEE5 1/20 0.37
IDO1 P14902 1/20 0.37
CA12 O43570 1/20 0.36
ALPL P05186 1/20 0.36
RPA1 P27694 1/20 0.36
RAB9A P51151 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
HASPIN Q8TF76 1/20 0.35
MAPK14 Q16539 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
SCHEMBL29812163 0.74 HAO2 (0.52) HAO2GAKPDGFRBKITFLT3
SCHEMBL2374242 0.71 ALDH1A1 (0.45) AXLKEAP1ALPLRAB9AMAPK14
SCHEMBL14519615 0.70 MAPK14 (0.55) MAPK14
SCHEMBL26502927 0.69 MAPT (0.46) RAB9AMAPK14KDM4EALDH1A1HPGD
SCHEMBL168203 0.69 TUBB4A (0.43) HAO2GAKPDGFRBKITFLT3
SCHEMBL28310139 0.68 HAO2 (0.62) HAO2KITCA12ALPLRPA1
SCHEMBL6440359 0.66 ALDH1A1 (0.41) RAB9AMAPK14KDM4EALDH1A1MAPK1
SCHEMBL167755 0.66 IRAK4 (0.39) HAO2GAKPDGFRBKITFLT3
SCHEMBL20376614 0.66 PTGS1 (0.40) FLT3MKNK2STK17AMAPK14KDM4E
SCHEMBL168619 0.65 GRM2 (0.41) GAKPDGFRBKITFLT3MKNK2

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-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed