SCHEMBL73247

SCHEMBL73247

Clc1cccc(-c2cnc3ccccn23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.62
MIF P14174 1/20 0.60
FLT3 P36888 3/20 0.56
CDK2 P24941 2/20 0.55
DYRK1A Q13627 2/20 0.55
DYRK1B Q9Y463 2/20 0.55
DYRK3 O43781 1/20 0.55
CCNT1 O60563 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK9 P50750 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
DYRK2 Q92630 1/20 0.55
HPGD P15428 1/20 0.53
KDR P35968 4/20 0.50
FGFR3 P22607 2/20 0.50
PIK3CA P42336 2/20 0.50
EGLN2 Q96KS0 1/20 0.50
RIPK2 O43353 1/20 0.46
LYN P07948 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
SCHEMBL2650330 0.81 FLT3 (0.74) MIFFLT3DYRK1ADYRK1BKDR
SCHEMBL29109646 0.81 FLT3 (0.69) MIFFLT3DYRK1ADYRK1BKDR
SCHEMBL30655418 0.81 FLT3 (0.69) MIFFLT3DYRK1ADYRK1BKDR
SCHEMBL14138786 0.81 MIF (0.60) MIFFLT3CDK2DYRK1ADYRK1B
SCHEMBL73445 0.81 MIF (0.60) MIFFLT3CDK2DYRK1ADYRK1B
SCHEMBL25789350 0.79 MIF (0.57) MIFFLT3DYRK1ADYRK1BKDR
SCHEMBL14098511 0.78 MIF (0.56) MIFFLT3CDK2DYRK1ADYRK1B
SCHEMBL16675756 0.78 MIF (0.59) MIFFLT3FYNCHEK1
SCHEMBL18003003 0.78 MIF (0.56) MIFFLT3CDK2DYRK1ADYRK1B
SCHEMBL72363 0.78 IRAK4 (0.61) MIFFLT3CDK2DYRK1ADYRK1B

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