SCHEMBL3671856

SCHEMBL3671856

C#CCN1C(=O)c2ccccc2C1=O.CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccccc2)c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
CASP3 P42574 1/20 0.36
IDO1 P14902 3/20 0.35
TDO2 P48775 2/20 0.35
TSHR P16473 1/20 0.34
PTK2B Q14289 1/20 0.34
MAOB P27338 5/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
TYR P14679 1/20 0.32

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
SCHEMBL4293011 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDRECQLCASP3
SCHEMBL4291497 0.76 GRM2 (0.39) KDM4EALDH1A1HPGDIDO1MEN1
SCHEMBL4292592 0.71 GRM2 (0.41) KDM4EALDH1A1HPGDIDO1TSHR
SCHEMBL4292554 0.70 CDC7 (0.44) HPGDIDO1TDO2
SCHEMBL4289574 0.70 CDC7 (0.45) KDM4E
SCHEMBL3671620 0.69 CDC7 (0.39) HPGDIDO1TDO2
SCHEMBL3669940 0.69 CYP19A1 (0.48) ALDH1A1IDO1TDO2TSHR
SCHEMBL4284874 0.69 CDC7 (0.46) KDM4EBCHE
SCHEMBL3667322 0.67 ROCK2 (0.43) KDM4EALDH1A1HPGDIDO1
SCHEMBL4291234 0.66 SMN1; SMN2 (0.51) ALDH1A1HPGDTSHRMEN1KMT2A

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-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed