SCHEMBL73445

SCHEMBL73445

Nc1cccc(-c2cnc3ccccn23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.60
FLT3 P36888 4/20 0.56
DYRK1A Q13627 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
DYRK3 O43781 1/20 0.52
CCNT1 O60563 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
DYRK2 Q92630 1/20 0.52
PKM P14618 1/20 0.51
KDR P35968 4/20 0.50
PIK3CA P42336 1/20 0.50
CHEK1 O14757 2/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46

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
SCHEMBL13336369 0.84 KDR (0.75) FLT3DYRK1ADYRK1BDYRK3CCNT1
SCHEMBL25261576 0.82 FLT3 (0.71) MIFFLT3DYRK1ADYRK1BPKM
SCHEMBL2663392 0.82 CHEK1 (0.50) DYRK1ADYRK1BDYRK3CCNT1CCNA2
SCHEMBL2650330 0.81 FLT3 (0.74) MIFFLT3DYRK1ADYRK1BPKM
SCHEMBL73247 0.81 BACE1 (0.62) MIFFLT3DYRK1ADYRK1BDYRK3
SCHEMBL30655418 0.81 FLT3 (0.69) MIFFLT3DYRK1ADYRK1BPKM
SCHEMBL29109646 0.81 FLT3 (0.69) MIFFLT3DYRK1ADYRK1BPKM
SCHEMBL14138786 0.81 MIF (0.60) MIFFLT3DYRK1ADYRK1BCDK2
SCHEMBL1428403 0.81 KDR (0.62) FLT3DYRK1ADYRK1BDYRK3CCNT1
SCHEMBL11925485 0.81 GABRG2 (0.66) FLT3DYRK1ADYRK1BDYRK3CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed