SCHEMBL6962499

SCHEMBL6962499

CC(=O)c1cnn(-c2ncccn2)c1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.42
GRM7 Q14831 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
NAMPT P43490 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC9A1 P19634 2/20 0.40
SLC9A2 Q9UBY0 1/20 0.39

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) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL1574919 0.81 MAPK1 (0.63) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL6969073 0.78 KMT2A (0.55) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL7230024 0.77 MAPK1 (0.55) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL7233447 0.77 MAPK1 (0.55) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL7232670 0.76 MAPK1 (0.54) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL2544046 0.76 MAPK1 (1.00) MAPK1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL7230954 0.76 MAPK1 (0.53) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL7237287 0.75 MAPK1 (0.52) MAPK1KDM4EALDH1A1TDP1MAPT
SCHEMBL7239726 0.75 MAPK1 (0.73) MAPK1MAPTHPGDSMN1; SMN2NPC1

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 5 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
CN-1071754-C Pyrimidinylpyrazole derivative DAIICHI SEIYAKU CO (JP) 2001-09-26 CN disclosed
US-5852019-A Pyrimidinylpyrazole derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-22 US disclosed
CN-1166833-A pyrimidinyl pyrazole derivatives DAIICHI SEIYAKU CO (JP) 1997-12-03 CN disclosed
EP-0784055-A1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP disclosed