SCHEMBL7703537

SCHEMBL7703537

CN(C)c1ccnc(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HIF1A Q16665 3/20 0.53
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
KDM5B Q9UGL1 2/20 0.52
KDM5A P29375 1/20 0.52
KDM5C P41229 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.48
FAAH O00519 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL5215104 0.81 KDM5B (0.71) KDM4EALDH1A1HIF1ARAB9ANPC1
SCHEMBL7702882 0.80 RAB9A (0.60) KDM4EALDH1A1HIF1ARAB9ANPC1
SCHEMBL6072210 0.80 HIF1A (0.59) KDM4EHIF1ARAB9ANPC1KDM5B
SCHEMBL7699651 0.80 KDM5B (0.57) KDM4EALDH1A1HIF1ARAB9ANPC1
SCHEMBL30131466 0.78 KMT2A (0.69) KDM4EALDH1A1HIF1ARAB9ANPC1
SCHEMBL7704092 0.78 KMT2A (0.69) KDM4EALDH1A1HIF1ARAB9ANPC1
SCHEMBL9154280 0.77 TMEM97 (0.70) KDM4EALDH1A1RAB9ANPC1KDM5B
SCHEMBL2464624 0.76 KDM4E (0.65) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7698230 0.74 KMT2A (0.68) HIF1ARAB9ANPC1SMN1; SMN2
SCHEMBL14292560 0.73 RAB9A (0.65) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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