SCHEMBL17801062

SCHEMBL17801062

O=c1[nH]nc(-c2ccc3[nH]nc(Br)c3c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.50
JAK2 O60674 8/20 0.37
PDPK1 O15530 2/20 0.37
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
CDK2 P24941 2/20 0.36
MARK3 P27448 2/20 0.36
CLK2 P49760 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CAMK2B Q13554 2/20 0.36
CAMK2G Q13555 2/20 0.36
DYRK1A Q13627 2/20 0.36
MARK2 Q7KZI7 2/20 0.36
BRSK1 Q8TDC3 2/20 0.36
AURKB Q96GD4 2/20 0.36
PRKD2 Q9BZL6 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DCLK1 O15075 1/20 0.36
CHEK2 O96017 1/20 0.36
CSF1R P07333 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
SCHEMBL17801014 0.74 NISCH (0.47) JAK2PDPK1PRKD3MAP4K4CDK2
SCHEMBL17801017 0.74 PDPK1 (0.60) PDPK1PKN2
SCHEMBL31391692 0.71 CYP1A2 (0.44) JAK2PDPK1PRKD3MAP4K4CDK2
SCHEMBL3723548 0.71 DYRK1A (0.34) JAK2PDPK1PRKD3MAP4K4CDK2
SCHEMBL29953542 0.70 KIF11 (0.46) JAK2PDPK1PRKD3MAP4K4CDK2
SCHEMBL182436 0.70 KIF11 (0.46) JAK2PDPK1PRKD3MAP4K4CDK2
SCHEMBL30855645 0.70 PDPK1 (0.68) BTKJAK2PDPK1PRKD3MAP4K4
SCHEMBL3688902 0.70 DYRK1A (0.34) JAK2PDPK1PRKD3MAP4K4CDK2
SCHEMBL9904218 0.70 PIM1 (0.46) JAK2PRKD3MAP4K4CDK2MARK3
SCHEMBL5914302 0.69 BTK (0.64) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed