SCHEMBL6555705

SCHEMBL6555705

Cc1cc(Br)cc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACP1 P24666 1/20 0.39
CA2 P00918 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL16143017 0.84 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL10194215 0.83 L3MBTL1 (0.47) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL9824124 0.81 L3MBTL1 (0.47) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL13735692 0.80 HDAC3 (0.44) CYP1A2CYP2C9CYP2C19HDAC1HDAC7
SCHEMBL23465366 0.79 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14015103 0.79 MAPT (0.57) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL524517 0.79 HDAC1 (0.49) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL6846421 0.79 ACP1 (0.51) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL30487756 0.78 MEN1 (0.59) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL5690802 0.78 MEN1 (0.59) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1186328-C Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2005-01-26 CN disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
CN-1387516-A Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2002-12-25 CN disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed