SCHEMBL4444458

SCHEMBL4444458

CN1CCC(N(C)c2nc(Nc3ccc(CC=O)cc3)c3ncn(C4CCCCO4)c3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.59
YTHDC1 Q96MU7 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
PDGFRA P16234 3/20 0.37
SRC P12931 1/20 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
SCHEMBL1591304 0.87 FLT3 (0.56) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL4442975 0.86 FLT3 (0.57) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL4432844 0.82 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL4444105 0.80 FLT3 (0.63) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL6015418 0.78 FLT3 (0.37) FLT3SRC
SCHEMBL21967147 0.71 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967400 0.70 FLT3 (0.59) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967448 0.69 FLT3 (0.61) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL29659500 0.69 NPC1 (0.58) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967824 0.69 FLT3 (0.58) 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