SCHEMBL28550503

SCHEMBL28550503

Cc1cnc2cc(-c3cc(Cl)ncn3)ccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.38
KDR P35968 9/20 0.37
KMO O15229 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR3 P22607 4/20 0.33
CDK7 P50613 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK9 P50750 1/20 0.33
PRKX P51817 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL29707252 1.00 FLT3 (0.38) FLT3KDRKMONPC1RAB9A
SCHEMBL29707229 0.83 FLT3 (0.38) FLT3KDRKMOFGFR3CDK7
SCHEMBL28554374 0.83 FLT3 (0.38) FLT3KDRKMOFGFR3CDK7
SCHEMBL29707264 0.78 SMN1; SMN2 (0.33) FLT3KDRKMOFGFR3CDK7
SCHEMBL28571878 0.78 SMN1; SMN2 (0.33) FLT3KDRKMOFGFR3CDK7
SCHEMBL28554534 0.77 KMO (0.36) FLT3KMOCDK7CLK4CDC7
SCHEMBL29707244 0.77 KMO (0.36) FLT3KMOCDK7CLK4CDC7
SCHEMBL20903396 0.77 KDR (0.46) FLT3KDRFGFR3
SCHEMBL28554980 0.73 SMN1; SMN2 (0.38) KMONPC1RAB9A
SCHEMBL29707230 0.73 SMN1; SMN2 (0.38) KMONPC1RAB9A

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
CN-112574211-B Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2022-06-14 CN disclosed
CN-112574211-A Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2021-03-30 CN disclosed