SCHEMBL4832040

SCHEMBL4832040

COc1ccc(CC(=O)Nc2ccc(-c3ccnc([AsH]c4ccc(N5CCOCC5)cc4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 3/20 0.56
JAK2 O60674 3/20 0.49
JAK1 P23458 2/20 0.49
JAK3 P52333 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TYK2 P29597 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
WNT3A P56704 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ADRB2 P07550 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 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
SCHEMBL4383986 0.86 JAK2 (0.68) MAPTALDH1A1JAK2JAK1JAK3
SCHEMBL4791242 0.85 JAK2 (0.52) JAK2JAK1JAK3SMN1; SMN2TYK2
SCHEMBL14563263 0.79 MAPT (0.75) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL14563204 0.78 MAPT (0.87) MAPTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL4385126 0.77 JAK2 (0.64) MAPTJAK2JAK1JAK3TYK2
SCHEMBL4383776 0.76 JAK2 (0.64) JAK2JAK1JAK3TYK2HDAC1
SCHEMBL4917572 0.76 JAK2 (0.51) JAK2JAK1JAK3TYK2HDAC1
SCHEMBL4381858 0.75 JAK2 (0.70) JAK2JAK1JAK3TYK2HDAC1
SCHEMBL4383499 0.75 JAK2 (0.70) JAK2JAK1JAK3TYK2HDAC1
SCHEMBL4377974 0.74 JAK2 (0.73) JAK2JAK1JAK3TYK2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed