SCHEMBL1704286

SCHEMBL1704286

Brc1cc2ccccc2c(Nc2cnccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CYP11B1 P15538 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
BTK Q06187 1/20 0.37
CDK5 Q00535 3/20 0.36
DYRK1A Q13627 3/20 0.36
CHEK1 O14757 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
PIM1 P11309 2/20 0.36
CDK2 P24941 2/20 0.36
CDK8 P49336 2/20 0.36
CLK2 P49760 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 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
SCHEMBL902433 0.79 FDPS (0.43) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL901984 0.76 IDH2 (0.42) ALDH1A1
SCHEMBL1704285 0.71 KDR (0.48) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL27420834 0.71 SMN1; SMN2 (0.55) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL1704403 0.71 KARS1 (0.47) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL901654 0.69 KDR (0.47) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL902727 0.69 CHEK1 (0.56) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL6831390 0.69 EGFR (0.57) KDRDYRK1AMAP4K4PIM1CDK8
SCHEMBL1702373 0.69 TDP1 (0.41) KDRALDH1A1HPGDMEN1KMT2A
SCHEMBL22970835 0.68 CDK2 (0.39) KDRALDH1A1HPGDMEN1KMT2A

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed