SCHEMBL4442975

SCHEMBL4442975

CN1CCC(N(C)c2nc(Nc3cc[c]cc3)c3ncn(C4CCCCO4)c3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.57
YTHDC1 Q96MU7 1/20 0.46
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.38
SRC P12931 1/20 0.37
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4444458 0.86 FLT3 (0.59) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967448 0.70 FLT3 (0.61) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967147 0.70 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967560 0.70 YTHDC1 (0.71) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967790 0.70 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL17262750 0.70 YTHDC1 (0.71) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967618 0.70 FLT3 (0.60) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL21967885 0.70 FLT3 (0.74) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL17845526 0.69 FLT3 (0.56) 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