SCHEMBL7259113

SCHEMBL7259113

Clc1cc2c(-c3ccccc3)n[nH]c2nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPK10 P53779 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ ALPL P05186 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ MAPK14 Q16539 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAP2K4 P45985 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ FER P16591 1/20 0.42
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL7261133 0.83 ALDH1A1 (0.44) ALDH1A1MAP2K4ADORA3ADORA1SMN1; SMN2
SCHEMBL7260503 0.83 MAPK1 (0.44) HPGDALDH1A1KDM4EMAP2K4RAB9A
SCHEMBL7255610 0.81 GSK3A (0.53) HPGDALDH1A1KDM4EMAPK10GAA
SCHEMBL7256520 0.80 MEN1 (0.47) HPGDALDH1A1KDM4EGAAALPL
SCHEMBL7260051 0.75 GSK3A (0.46) IDO1ADORA1NPC1RAB9ATP53
SCHEMBL7255654 0.74 IDO1 (0.40) HPGDALDH1A1IDO1ALPLMAPT
SCHEMBL1513071 0.74 KDM4E (0.53) HPGDALDH1A1KDM4EMAPK10GAA
SCHEMBL7256481 0.73 DCLK1 (0.51) HPGDALDH1A1KDM4EMAPK10GAA
SCHEMBL7261231 0.73 GSK3A (0.50) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL13738909 0.72 GSK3B (0.44) HPGDALDH1A1KDM4EMAPK10GAA

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
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO claimed
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO disclosed
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