SCHEMBL5989263

SCHEMBL5989263

CC(C)Cn1c(N)nc2ccc(B(O)O)cc21.CC(C)Cn1c(N)nc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ERBB2 P04626 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT4 P35916 1/20 0.40
FRK P42685 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40
LIMK1 P53667 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
DYRK1A Q13627 1/20 0.40
ERBB4 Q15303 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
PIM3 Q86V86 1/20 0.40

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
SCHEMBL989352 0.93 DYRK3 (0.43) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989394 0.89 DYRK3 (0.46) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL26981862 0.75 TLR8 (0.39) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL27130458 0.75 TLR8 (0.39) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL29844411 0.75 TLR8 (0.39) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL9952969 0.71 DPP4 (0.51) KMT2ATSHR
SCHEMBL14247443 0.71 KMT2A (0.47) CYP1A2CYP2D6TLR8KMT2AHTT
SCHEMBL21311044 0.70 TLR8 (0.41) MAPK14CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL989490 0.70 DYRK3 (0.42) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989488 0.70 DYRK3 (0.42) DYRK3PRKD3MAP4K4ERBB2PIM1

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
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed