SCHEMBL30168171

SCHEMBL30168171

COc1ccc(-c2cnc3c(Nc4ccc(N)c(C)c4)nccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.46
▸ SRC P12931 3/20 0.42
▸ TTK P33981 6/20 0.42
▸ FLT3 P36888 1/20 0.41
▸ AURKA O14965 5/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
Hydrochloric Acid SCHEMBL30168143 0.99 EIF2AK4 (0.45) EIF2AK4SRCTTKFLT3AURKA
SCHEMBL30371440 0.87 SRC (0.49) SRCTTKAURKAMAPKAPK5MAPT
SCHEMBL24104677 0.87 SRC (0.44) SRCTTKFLT3AURKAMAPKAPK5
SCHEMBL30177930 0.85 SYK (0.51) TTKMAPKAPK5PTK6
SCHEMBL30167709 0.85 TTK (0.42) SRCTTKFLT3AURKAMAPKAPK5
SCHEMBL24104689 0.85 TTK (0.42) SRCTTKFLT3AURKAMAPKAPK5
SCHEMBL24910461 0.85 SRC (0.43) SRCTTKFLT3AURKAMAPKAPK5
SCHEMBL25173790 0.84 TTK (0.48) SRCTTKAURKAMAPKAPK5PTK6
SCHEMBL22160298 0.84 TTK (0.48) SRCTTKAURKAMAPKAPK5MAPT
SCHEMBL22123273 0.84 TTK (0.50) SRCTTKMAPKAPK5MAPTPTK6

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
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
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