SCHEMBL14217005

SCHEMBL14217005

CC1=NC(C(=O)Nc2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)CO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.39
SYK P43405 1/20 0.39
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL14217004 0.87 ABL1 (0.39) ABL1SYKMAPK14KDM4EALDH1A1
SCHEMBL10043963 0.85 ABL1 (0.53) ABL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10043964 0.83 ABL1 (0.47) ABL1SYKKDM4EALDH1A1HPGD
SCHEMBL14217006 0.83 ABL1 (0.39) ABL1SYKMAPK14KDM4EALDH1A1
SCHEMBL10043738 0.82 KDM4E (0.56) ABL1MAPK14KDM4EALDH1A1HPGD
SCHEMBL10043701 0.82 KDM4E (0.56) ABL1MAPK14KDM4EALDH1A1HPGD
SCHEMBL10043968 0.81 ABL1 (0.48) ABL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10043828 0.81 RAB9A (0.48) ABL1SYKMAPK14KDM4ETP53
SCHEMBL10043965 0.80 ABL1 (0.39) ABL1SYKMAPK14KDM4EALDH1A1
SCHEMBL14144989 0.80 CYP3A4 (0.43) ABL1SYKMAPK14KDM4EALDH1A1

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-2008051757-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-05-02 WO disclosed