SCHEMBL6433669

SCHEMBL6433669

Cc1c(-c2ccc(Cl)cc2)oc2ncnc(Nc3ccccn3)c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.43
AURKA O14965 5/20 0.40
EGFR P00533 3/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK10 P53779 1/20 0.36
GFER P55789 1/20 0.36
CHEK1 O14757 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CD38 P28907 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6410337 0.75 ALDH1A1 (0.44) CFTREGFRTP53MEN1KMT2A
SCHEMBL6432626 0.71 EGFR (0.42) AURKAEGFRCD38
SCHEMBL21141404 0.65 TNK2 (0.51) AURKAEGFRMEN1KMT2ACHEK1
SCHEMBL6408208 0.65 ALDH1A1 (0.43) AURKAEGFRMEN1KMT2AGFER
SCHEMBL14013960 0.64 TNK2 (0.70) AURKAEGFRTHRBMEN1KMT2A
SCHEMBL6408652 0.64 RAF1 (0.43) CFTREGFRTHRBMEN1KMT2A
SCHEMBL5319683 0.64 KDR (0.78) KDM4EL3MBTL1
SCHEMBL29850051 0.63 NPC1 (0.60) EGFRMEN1KMT2AMAPK10GFER
SCHEMBL21258999 0.63 NPC1 (0.60) EGFRMEN1KMT2AMAPK10GFER
SCHEMBL21141395 0.60 TNK2 (0.43) AURKAEGFRTP53MEN1KMT2A

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