SCHEMBL7823784

SCHEMBL7823784

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(Cl)ccc3C2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
APP P05067 2/20 0.35
TXN P10599 1/20 0.34
BRD4 O60885 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAPT P10636 3/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TP53 P04637 1/20 0.33
SOS1 Q07889 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
LCK P06239 2/20 0.33
DHFR P00374 1/20 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
Hydrochloric Acid SCHEMBL6157868 0.99 KMT2A (0.36) KMT2AMEN1BLMAPPTXN
SCHEMBL7836074 0.94 MEN1 (0.35) KMT2AMEN1BLMAPPTXN
Hydrochloric Acid SCHEMBL6159137 0.93 MEN1 (0.34) KMT2AMEN1BLMAPPTXN
SCHEMBL6158502 0.92 KMT2A (0.37) KMT2AMEN1BLMAPPTXN
SCHEMBL6158156 0.92 KMT2A (0.40) KMT2AMEN1BLMAPPBRD4
Hydrochloric Acid SCHEMBL6160343 0.91 KMT2A (0.36) KMT2AMEN1BLMAPPTXN
Hydrochloric Acid SCHEMBL6157511 0.91 KMT2A (0.39) KMT2AMEN1BLMAPPADRA2A
SCHEMBL6956974 0.90 ESR1 (0.41) KMT2AMEN1BLMAPPADRA2A
SCHEMBL7833131 0.90 CDK9 (0.35) KMT2AMEN1BRD4ADRA2AADRA2B
Hydrochloric Acid SCHEMBL6967452 0.90 ESR1 (0.41) KMT2AMEN1BLMAPPADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO disclosed