SCHEMBL4432844

SCHEMBL4432844

O=CCc1ccc(Nc2nc(F)nc3c2ncn3C2CCCCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.60
YTHDC1 Q96MU7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
PDGFRA P16234 3/20 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
SCHEMBL21967147 0.88 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967400 0.87 FLT3 (0.59) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967801 0.86 FLT3 (0.58) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967706 0.86 FLT3 (0.72) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967824 0.86 FLT3 (0.58) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967846 0.85 FLT3 (0.56) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967861 0.84 FLT3 (0.55) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967864 0.84 FLT3 (0.55) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL1591361 0.84 FLT3 (0.56) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL4444105 0.84 FLT3 (0.63) FLT3YTHDC1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 WO disclosed