SCHEMBL7703536

SCHEMBL7703536

O=C(NCCc1ccccc1)c1ccc(-c2ccccn2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 5/20 0.67
HDAC1 Q13547 8/20 0.64
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
KDM4E B2RXH2 3/20 0.59
F10 P00742 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PPARG P37231 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL4928004 0.82 AKT3 (0.73) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL4923388 0.82 ACKR3 (0.67) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL5003717 0.80 AKT3 (1.00) AKT3HDAC1
SCHEMBL6972046 0.79 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC6HDAC7
SCHEMBL5903774 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC6HDAC7
SCHEMBL13887791 0.79 AKT1 (0.63) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL31337390 0.78 HDAC1 (0.57) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL14273322 0.78 AKT3 (0.51) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL5124152 0.78 AKT3 (0.51) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL8567491 0.76 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC6HDAC7

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