SCHEMBL17227399

SCHEMBL17227399

O=c1ccn(-c2cccc(Sc3nc4ccccc4[nH]3)c2)nc1C1C=CN(C2=CCCC=C2)N1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.32
AURKB Q96GD4 3/20 0.32
INCENP Q9NQS7 3/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL17227410 0.79 POLB (0.30)
SCHEMBL518816 0.72 ALDH1A1 (0.51)
SCHEMBL519043 0.66 PDE10A (0.54)
SCHEMBL17677271 0.63 MYC (0.38)
SCHEMBL16372510 0.62 MEN1 (0.35)
SCHEMBL1879820 0.57 BCHE (0.59)
SCHEMBL30831170 0.57 BCHE (0.59)
SCHEMBL12060970 0.57 KMT2A (0.46)
SCHEMBL3792726 0.54 BCHE (0.68)
SCHEMBL2361452 0.51 KDM4E (0.55)

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-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed