SCHEMBL5226690

SCHEMBL5226690

O=C(O)c1nn(-c2ccccc2)c2c1ccc1[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
APP P05067 1/20 0.41
ADORA1 P30542 1/20 0.41
CDK2 P24941 4/20 0.41
CCNA2 P20248 3/20 0.41
CCNA1 P78396 3/20 0.41
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STAT1 P42224 1/20 0.37
METAP2 P50579 1/20 0.37
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL5229177 0.90 CCNA2 (0.50) MAPTADORA1CDK2CCNA2CCNA1
SCHEMBL5230295 0.85 CCNA2 (0.53) MAPTADORA1CDK2CCNA2CCNA1
SCHEMBL5228664 0.83 ALDH1A1 (0.52) MAPTAPPADORA1CDK2CCNA2
SCHEMBL5230050 0.81 CCNA2 (0.42) CDK2CCNA2CCNA1SMN1; SMN2METAP2
SCHEMBL5229894 0.79 CCNA2 (0.53) MAPTCDK2CCNA2CCNA1KMT2A
SCHEMBL5227704 0.78 CDK2 (0.53) CDK2CCNA2CCNA1ALDH1A1KDM4E
SCHEMBL5227766 0.78 CDK2 (0.52) CDK2CCNA2CCNA1ALDH1A1CCNE1
SCHEMBL5226943 0.78 CDK2 (0.54) CDK2CCNA2CCNA1KMT2AROCK2
SCHEMBL5230389 0.78 CCNA2 (0.54) CDK2CCNA2CCNA1ALDH1A1SMN1; SMN2
SCHEMBL5225569 0.77 CCNA2 (0.52) CDK2CCNA2CCNA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed