SCHEMBL7150974

SCHEMBL7150974

NC1CCC(Nc2nc3ncnc-3c(Nc3ccc(C(=O)O)cc3)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.40
KIT P10721 5/20 0.40
BTK Q06187 3/20 0.39
CDK2 P24941 3/20 0.38
CDK1 P06493 2/20 0.38
AURKA O14965 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
EPHA1 P21709 1/20 0.38
BMX P51813 1/20 0.38
JAK3 P52333 1/20 0.38
CDK6 Q00534 1/20 0.38
PAK1 Q13153 1/20 0.38
ALK Q9UM73 1/20 0.38
HCAR3 P49019 3/20 0.38
MERTK Q12866 1/20 0.37
PDGFRA P16234 1/20 0.37
GSK3B P49841 1/20 0.35
TOP2A P11388 1/20 0.35

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
SCHEMBL7150967 1.00 FLT3 (0.40) FLT3KITBTKCDK2CDK1
Hydrochloric Acid SCHEMBL4898540 0.87 BTK (0.39) FLT3BTKCDK2CDK1MERTK
Hydrochloric Acid SCHEMBL4892763 0.85 MAPKAPK2 (0.50) EGFRMAPKAPK2
SCHEMBL7157418 0.84 MAPK6 (0.39) FLT3BTKCDK2MERTKPDGFRA
SCHEMBL7157428 0.84 MAPK6 (0.39) FLT3BTKCDK2MERTKPDGFRA
Hydrochloric Acid SCHEMBL4897810 0.83 MAPK6 (0.38) FLT3BTKCDK2MERTKPDGFRA
SCHEMBL7147132 0.81 SYK (0.43) FLT3KITCDK2CDK1AURKA
Hydrochloric Acid SCHEMBL4893927 0.81 SYK (0.42) FLT3KITCDK2CDK1AURKA
Hydrochloric Acid SCHEMBL4889999 0.74 PI4KA (0.42) FLT3BTKCDK2CDK1EGFR
Hydrochloric Acid SCHEMBL4889988 0.74 PI4KA (0.42) FLT3BTKCDK2CDK1EGFR

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-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO disclosed