SCHEMBL29324653

SCHEMBL29324653

Cc1c(I)cccc1-c1cn[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ PDK2 Q15119 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ FEN1 P39748 2/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL18378727 0.82 AKT1 (0.47) AKT1AKT2PDK2LRRK2AURKA
SCHEMBL17641537 0.82 AKT2 (0.55) AKT1AKT2PDK2LRRK2AURKA
SCHEMBL20294499 0.81 AKT2 (0.60) AKT1AKT2PDK2LRRK2GPR35
SCHEMBL21451423 0.79 IDO1 (0.53) AKT1AKT2PDK2LRRK2ROCK2
SCHEMBL19726594 0.78 AKT1 (0.43) AKT1AKT2PDK2LRRK2AURKA
SCHEMBL19589423 0.77 ROCK2 (0.44) AKT1AKT2ROCK2ROCK1
SCHEMBL18375564 0.77 AKT1 (0.42) AKT1AKT2PDK2LRRK2FEN1
SCHEMBL21172870 0.75 CD274 (0.47) ADRA1AMAPK1
SCHEMBL105445 0.74 AKT1 (0.55) AKT1AKT2PDK2LRRK2ADRA1D
SCHEMBL15698609 0.72 PDK2 (0.47) AKT1AKT2PDK2LRRK2GPR35

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-2024148247-A2 AZAINDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2024-07-11 — — WO disclosed
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