SCHEMBL4444105

SCHEMBL4444105

CC1CN(c2nc(Nc3ccc(CC=O)cc3)c3ncn(C4CCCCO4)c3n2)CCO1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.63
YTHDC1 Q96MU7 1/20 0.44
PDGFRA P16234 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
ATR Q13535 2/20 0.39

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
SCHEMBL1591184 0.88 FLT3 (0.62) FLT3YTHDC1PDGFRANPC1RAB9A
SCHEMBL12703837 0.88 FLT3 (0.62) FLT3YTHDC1PDGFRANPC1RAB9A
SCHEMBL4432844 0.84 FLT3 (0.60) FLT3YTHDC1PDGFRANPC1RAB9A
SCHEMBL4444458 0.80 FLT3 (0.59) FLT3YTHDC1PDGFRANPC1RAB9A
SCHEMBL4443143 0.79 CSNK1D (0.43) FLT3PDGFRA
SCHEMBL4438500 0.78 CSNK1D (0.44) FLT3PDGFRA
SCHEMBL30677295 0.77 FLT3 (0.81) FLT3YTHDC1PDGFRANPC1RAB9A
SCHEMBL1591541 0.72 FLT3 (0.68) FLT3YTHDC1PDGFRA
SCHEMBL21967147 0.72 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967400 0.71 FLT3 (0.59) FLT3YTHDC1PDGFRANPC1RAB9A

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 2 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