SCHEMBL7706003

SCHEMBL7706003

Cc1nnsc1C(=O)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
GAA P10253 3/20 0.53
HIF1A Q16665 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.51
ATM Q13315 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 1/20 0.50
KLF5 Q13887 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL11538782 0.86 LMNA (0.62) LMNAGAAABCC8KCNJ11KMT2A
SCHEMBL6361527 0.77 LMNA (0.50) LMNARAB9ANPC1GAAKMT2A
SCHEMBL12852295 0.75 GAA (0.57) LMNAGAAKMT2AALDH1A1POLB
SCHEMBL11539400 0.75 LMNA (0.48) LMNARAB9ANPC1GAAKMT2A
SCHEMBL7043652 0.75 LMNA (1.00) LMNARAB9ANPC1GAAABCC8
SCHEMBL11535238 0.75 TSHR (0.56) LMNAGAAKMT2AALDH1A1USP2
SCHEMBL11535652 0.74 CXCR4 (0.60) LMNAGAAKMT2AALDH1A1POLB
SCHEMBL11536229 0.74 CXCR4 (0.53) LMNAGAAABCC8KCNJ11KMT2A
SCHEMBL12801566 0.74 LMNA (0.53) LMNARAB9ANPC1GAAKMT2A
SCHEMBL11535524 0.73 ATM (0.67) LMNAGAAKMT2AALDH1A1POLB

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