SCHEMBL7364007

SCHEMBL7364007

COC(=O)c1ccc(-c2nnc(=O)c3ccc[nH]c2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDO2 P48775 1/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTPRC P08575 1/20 0.42
PTPRF P10586 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
MAP2K4 P45985 2/20 0.42
RAF1 P04049 1/20 0.41
KDR P35968 2/20 0.41
DHODH Q02127 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
TNKS O95271 1/20 0.39
SGK1 O00141 1/20 0.39
CAMKK2 Q96RR4 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
SCHEMBL7365581 0.88 CDK8 (0.48) ALDH1A1HPGDGPR84DHODHKDM5B
SCHEMBL7361974 0.83 NR4A2 (0.36) IDO1KDRDHODH
SCHEMBL7367836 0.83 IKBKB (0.42) MAPK1ALDH1A1MAP2K4KDRCAMKK2
SCHEMBL2396369 0.76 KDM4E (0.51) IDO1MAPK1ALDH1A1KDM4EPTPRC
SCHEMBL7365409 0.73 ALDH1A1 (0.44) IDO1MAPK1ALDH1A1KDM4ETDO2
SCHEMBL24727844 0.73 HDAC1 (0.63) MAPK1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL30079151 0.68 CA1 (0.57) MAPK1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7091188 0.68 CCNE2 (0.69) IDO1MAPK1PTPRCPTPRFPTPN1
SCHEMBL7364174 0.68 KDR (0.46) MAPK1ALDH1A1KDM4ESMN1; SMN2PTPRC
SCHEMBL2948502 0.67 PIK3CD (0.51) IDO1MAPK1ALDH1A1KDM4EHPGD

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed