SCHEMBL6969073

SCHEMBL6969073

COc1ccnc(-n2ncc(C(C)=O)c2C)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
UBE2M P61081 4/20 0.42
DCUN1D1 Q96GG9 4/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR1 O43613 6/20 0.40
HCRTR2 O43614 6/20 0.40
OXTR P30559 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL6971187 0.83 MAPK1 (0.54) KMT2AMAPK1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL6970997 0.80 KMT2A (0.67) KMT2AMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL6962499 0.78 MAPK1 (0.61) KMT2AMAPK1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL20646803 0.76 MAPK1 (0.58) KMT2AMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL7233788 0.73 MAPK1 (0.51) KMT2AMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL7232670 0.72 MAPK1 (0.54) MAPK1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL7240851 0.71 MAPK1 (0.49) KMT2AMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL7242010 0.70 ALKBH1 (0.53) KMT2AMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL7240740 0.69 MAPK1 (0.50) KMT2AMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL24920384 0.68 HCRTR1 (0.47) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784055-B1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
US-5852019-A Pyrimidinylpyrazole derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-22 US disclosed
EP-0784055-A1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP disclosed