SCHEMBL6158484

SCHEMBL6158484

Cc1nc(Nc2ccccc2)nc(N2CCc3cc(F)ccc3C2C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KCNH3 Q9ULD8 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GFRA3 O60609 1/20 0.34
RET P07949 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
Hydrochloric Acid SCHEMBL6161078 0.99 KDM4E (0.37) KDM4ETSHRLMNAHPGDMAPK1
SCHEMBL6157935 0.94 AURKA (0.38) KDM4ETSHRMAPK1MEN1KMT2A
SCHEMBL6158156 0.94 KMT2A (0.40) KDM4ETSHRLMNAHPGDMAPK1
Hydrochloric Acid SCHEMBL7164270 0.93 MEN1 (0.38) KDM4ETSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6157511 0.93 KMT2A (0.39) KDM4ETSHRLMNAHPGDMAPK1
Hydrochloric Acid SCHEMBL6159358 0.91 KDM4E (0.37) KDM4ETSHRLMNAHPGDMAPK1
SCHEMBL7838006 0.91 AURKA (0.36) KDM4EHPGDMAPK1MEN1KMT2A
SCHEMBL7836074 0.90 MEN1 (0.35) ADRA2AADRA2BADRA2CKCNH3MEN1
Hydrochloric Acid SCHEMBL6158861 0.90 AURKA (0.36) KDM4EHPGDMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6159137 0.89 MEN1 (0.34) KDM4ETSHRLMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131312-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2005-10-26 EP claimed
CN-1159312-C Novel poyrimidine derivatives and process for preparation thereof ������������ʽ���� 2004-07-28 CN claimed
US-6545008-B1 Inhibitory activity against gastric acid secretion YUHAN CORPORATION (KR) 2003-04-08 US claimed
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