SCHEMBL6672176

SCHEMBL6672176

FC(F)(F)c1cccc(-c2cc[c]cc2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
IDO1 P14902 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAOB P27338 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN2A Q99250 1/20 0.38
EPHX2 P34913 2/20 0.38
PRMT3 O60678 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL3021267 0.85 RXRA (0.35) AKR1C3AKR1C2PIM1GSK3BHPGD
SCHEMBL695844 0.84 AKR1C3 (0.46) CTSSRORCRORBADORA2AADORA1
SCHEMBL16719325 0.84 PTPN5 (0.47) CTSSRORCRORBADORA2AADORA1
SCHEMBL2426849 0.84 CYP11B2 (0.42) MAP4K4PIM1GSK3BKDM4EHPGD
SCHEMBL695042 0.83 RAPGEF4 (0.41) CTSSRORCRORBADORA2AADORA1
SCHEMBL695054 0.83 RORB (0.48) CTSSRORCRORBADORA2AADORA1
SCHEMBL1369645 0.81 KIF11 (0.38) TSHRKDM4EHPGD
SCHEMBL8809460 0.80 CTSS (0.47) CTSSRORCRORBADORA2AADORA1
SCHEMBL1804182 0.80 AKR1C3 (0.38) CTSSRORCRORBADORA2AADORA1
SCHEMBL3636363 0.80 KIF11 (0.41) MAOBTSHREPHX2

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
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed