SCHEMBL6408037

SCHEMBL6408037

Oc1ccc(-c2oc3ncnc(Cl)c3c2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
AURKA O14965 3/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
UBE2N P61088 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNK2 Q07912 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TEK Q02763 3/20 0.35
KDR P35968 1/20 0.35
CHEK1 O14757 4/20 0.33
CDK1 P06493 2/20 0.33

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
SCHEMBL20492595 0.85 SMN1; SMN2 (0.43) EGFRAURKAMEN1KMT2AALDH1A1
SCHEMBL759173 0.85 EGFR (0.52) EGFRAURKAMEN1KMT2AALDH1A1
SCHEMBL6408208 0.82 ALDH1A1 (0.43) EGFRAURKAMEN1KMT2AALDH1A1
SCHEMBL2977130 0.79 TNK2 (0.58) EGFRAURKAMEN1KMT2AALDH1A1
SCHEMBL18341976 0.75 EGFR (0.33) EGFRMEN1KMT2AALDH1A1KDM4E
SCHEMBL30883354 0.72 EGFR (0.34) EGFRAURKAKDR
SCHEMBL1787179 0.70 TNK2 (0.58) EGFRAURKAMEN1KMT2AALDH1A1
SCHEMBL6410337 0.70 ALDH1A1 (0.44) EGFRMEN1KMT2AALDH1A1KDM4E
SCHEMBL1790077 0.70 ALDH1A1 (0.45) EGFRAURKAMEN1KMT2AALDH1A1
SCHEMBL6202986 0.70 ALDH1A1 (0.45) EGFRAURKAMEN1KMT2AALDH1A1

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-2005092896-A1 COMPOUND FOR INHIBITING TYROSINE KINASE ACTIVITY OF DDR2 PROTEIN KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-10-06 WO disclosed