SCHEMBL6159299

SCHEMBL6159299

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(F)cc3C2C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPT P10636 1/20 0.35
MARK3 P27448 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 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 SCHEMBL6159666 0.99 KMT2A (0.39) KMT2AMEN1BLMADRA2AADRA2B
SCHEMBL7835940 0.94 MEN1 (0.35) KMT2AMEN1BLMADRA2AADRA2B
Hydrochloric Acid SCHEMBL6159808 0.93 MEN1 (0.34) KMT2AMEN1BLMADRA2AADRA2B
Hydrochloric Acid SCHEMBL6159358 0.93 KDM4E (0.37) KMT2AMEN1BLMADRA2AADRA2B
SCHEMBL6158502 0.92 KMT2A (0.37) KMT2AMEN1BLMADRA2AADRA2B
SCHEMBL27417173 0.92 KMT2A (0.37) KMT2AMEN1BLMADRA2AADRA2B
SCHEMBL7858511 0.92 AURKA (0.36) KMT2AMEN1BLMADRA2AADRA2B
SCHEMBL6158156 0.92 KMT2A (0.40) KMT2AMEN1BLMADRA2AADRA2B
Hydrochloric Acid SCHEMBL6158829 0.91 AURKA (0.35) KMT2AMEN1BLMADRA2AADRA2B
Hydrochloric Acid SCHEMBL6968001 0.91 KMT2A (0.36) KMT2AMEN1BLMADRA2AADRA2B

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