SCHEMBL7256520

SCHEMBL7256520

COc1ccc(-c2n[nH]c3nnc(Cl)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CDK4 P11802 3/20 0.46
▸ CCND1 P24385 3/20 0.46
▸ HSP90AA1 P07900 3/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7260503 0.83 MAPK1 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL7261133 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7259113 0.80 HPGD (0.47) MEN1KMT2ADYRK1AGSK3AGSK3B
SCHEMBL7256511 0.79 EGFR (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7260065 0.79 NPC1 (0.48) MEN1KMT2ADYRK1AGSK3AGSK3B
SCHEMBL8834226 0.73 POLB (0.43) MEN1KMT2ACDK4CCND1DYRK1A
SCHEMBL5222119 0.73 KMT2A (0.44) MEN1KMT2ACDK4CCND1HSP90AA1
SCHEMBL29930500 0.72 DYRK1A (0.47) MEN1KMT2ACDK4CCND1DYRK1A
SCHEMBL28562998 0.72 DYRK1B (0.61) MEN1KMT2AHSP90AA1DYRK1AGSK3A
SCHEMBL23700852 0.70 KDM4E (0.44) MEN1KMT2ACDK4CCND1HSP90AA1

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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