SCHEMBL7199711

SCHEMBL7199711

O=c1cc(NC2CCCNC2)c2ccccc2n1-c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.52
CHEK1 O14757 12/20 0.47
PRKCZ Q05513 8/20 0.47
AURKA O14965 6/20 0.47
PRKD3 O94806 5/20 0.47
PRKCG P05129 5/20 0.47
PRKCB P05771 5/20 0.47
PRKCA P17252 5/20 0.47
CCNA2 P20248 5/20 0.47
PRKCH P24723 5/20 0.47
CDK2 P24941 5/20 0.47
PRKCI P41743 5/20 0.47
PRKCE Q02156 5/20 0.47
PRKCQ Q04759 5/20 0.47
PRKCD Q05655 5/20 0.47
PRKD1 Q15139 5/20 0.47
PRKD2 Q9BZL6 3/20 0.42
HTR6 P50406 2/20 0.41
IRAK4 Q9NWZ3 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
SCHEMBL7203775 0.88 JAK1 (0.49) JAK1CHEK1AURKA
SCHEMBL7202162 0.79 AURKA (0.45) AURKAHTR6IRAK4
SCHEMBL7204767 0.79 JAK1 (0.56) JAK1AURKA
SCHEMBL7201841 0.75 AURKA (0.43) AURKA
SCHEMBL7206567 0.73 ACP1 (0.52) AURKA
SCHEMBL1053495 0.73 JAK1 (0.49) JAK1CHEK1PRKCZAURKAPRKD3
SCHEMBL5308810 0.71 AURKA (0.62) AURKA
SCHEMBL7203420 0.69 ALDH1A1 (0.48) AURKA
SCHEMBL6388857 0.69 CHEK1 (0.81) JAK1CHEK1PRKCZAURKAPRKD3
SCHEMBL7200373 0.69 ACP1 (0.55) AURKA

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
US-6605617-B2 Treating a patient in need of an inhibitor of vascular endothelial growth factor receptor tyrosine kinase CHIRON CORPORATION 2003-08-12 US disclosed