SCHEMBL6661467

SCHEMBL6661467

Nc1n[nH]c2c1nnc1c(Br)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
FLT3 P36888 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
CSF1R P07333 2/20 0.42
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42
AURKB Q96GD4 2/20 0.42
CDK5 Q00535 2/20 0.42
MAP4K4 O95819 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
LIMK1 P53667 1/20 0.42
ACVR1 Q04771 1/20 0.42
TNK2 Q07912 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PDPK1 O15530 3/20 0.39
KDM4E B2RXH2 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
SCHEMBL6661870 0.80 NISCH (0.33) CHEK1FLT3PLK3FGFR1KDR
SCHEMBL15995778 0.78 CHEK1 (0.60) CHEK1FLT3PLK3CSF1RFGFR1
SCHEMBL6820273 0.76 KDR (0.67) CHEK1FLT3PLK3CSF1RFGFR1
SCHEMBL6919665 0.71 ALDH1A1 (0.45) CHEK1FLT3PLK3CSF1RFGFR1
SCHEMBL6919318 0.71 PDPK1 (0.51) CHEK1FLT3PLK3PDPK1CYP3A4
SCHEMBL6918392 0.70 MAP4K4 (0.47) CSF1RFGFR1KDRAURKBCDK5
SCHEMBL20297424 0.69 BACE1 (0.41) CHEK1FLT3PLK3CSF1RFGFR1
SCHEMBL6920075 0.68 BTK (0.48) CSF1RFGFR1KDRAURKBCDK5
SCHEMBL10368900 0.66 CHEK1 (0.64) CHEK1FLT3PLK3CSF1RFGFR1
SCHEMBL3654198 0.65 CHEK1 (0.62) CHEK1FLT3PLK3CSF1RFGFR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004016615-A1 PYRAZOLO (4,3c) CINNOLINE COMPOUNDS AS INHIBITORS OF ITK KINASE ACTIVITY ASTRAZENECA AB (SE) 2004-02-26 WO claimed
WO-2004016270-A1 USE OF Itk INHIBITORS FOR THE TREATMENT OF MAST CELL-DRIVEN OR BASOPHIL-DRIVEN DISEASES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed
WO-2004016615-A1 PYRAZOLO (4,3c) CINNOLINE COMPOUNDS AS INHIBITORS OF ITK KINASE ACTIVITY ASTRAZENECA AB (SE) 2004-02-26 WO disclosed