SCHEMBL7703559

SCHEMBL7703559

CCOC(=O)c1n[nH]cc1CO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
POLB P06746 1/20 0.48
PDE4D Q08499 1/20 0.42
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
DPP4 P27487 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
ELANE P08246 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL946588 0.89 KDM4E (0.47) KDM4EPOLBPDE4DCYP1A2ALDH1A1
SCHEMBL13651216 0.88 KDM4E (0.48) KDM4EPOLBPDE4DCYP1A2ALDH1A1
SCHEMBL824999 0.85 KDM4E (0.44) KDM4EPOLBPDE4DCYP1A2ALDH1A1
SCHEMBL951011 0.83 KDM4E (0.43) KDM4EPOLBPDE4DCYP1A2L3MBTL1
SCHEMBL27321987 0.82 KDM4E (0.42) KDM4EPOLBPDE4DCYP1A2ALDH1A1
SCHEMBL951258 0.81 KDM4E (0.41) KDM4EPOLBPDE4DALDH1A1L3MBTL1
SCHEMBL719025 0.80 KDM4E (0.49) KDM4EPOLBPDE4DCYP1A2ALDH1A1
SCHEMBL3376695 0.79 KDM4E (0.51) KDM4EPOLBPDE4DALDH1A1L3MBTL1
SCHEMBL948640 0.79 SMN1; SMN2 (0.59) KDM4EPOLBCYP1A2ALDH1A1KMT2A
SCHEMBL8816833 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed