SCHEMBL7698200

SCHEMBL7698200

Cc1ccc(C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.71
NPC1 O15118 11/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
MAPT P10636 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 1/20 0.61
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56

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
SCHEMBL12326827 0.89 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL25044558 0.85 L3MBTL1 (0.69) RAB9AKDM4ELMNAALDH1A1HDAC2
SCHEMBL21100312 0.84 KDM4E (0.62) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7701024 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7703395 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7704280 0.82 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7705702 0.82 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL26765032 0.81 KDM4E (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL9072710 0.81 KDM4E (0.68) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12143427 0.80 KDM4E (0.72) MAPTKMT2AKDM4EALDH1A1POLB

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