SCHEMBL24196347

SCHEMBL24196347

Nc1cc(N2CCNC(=O)C2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
GAK O14976 1/20 0.38
DPP4 P27487 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTR6 P50406 3/20 0.37
AOC3 Q16853 1/20 0.37
PKM P14618 2/20 0.37
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
RORC P51449 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SOS1 Q07889 1/20 0.35
S100B P04271 1/20 0.35
AR P10275 1/20 0.35
ALK Q9UM73 1/20 0.35
WNT3A P56704 1/20 0.34
HTR3E A5X5Y0 1/20 0.34

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
SCHEMBL31570658 0.86 MAPT (0.43) MAPTRECQLGAKDPP4HTR6
SCHEMBL3125646 0.79 DDB1 (0.46) MAPTRECQLGAKDPP4PRKCH
SCHEMBL24196401 0.79 MAPT (0.56) MAPTRECQLHTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL12520575 0.78 AOC3 (0.47) MAPTHSD11B1AOC3RORCRAB9A
SCHEMBL31570554 0.77 MAPT (0.71) MAPTRECQLHTR6CYP1A2CYP2C9
SCHEMBL3315941 0.77 GAK (0.53) GAKDPP4RAB9AS100BCYP3A4
SCHEMBL12208591 0.76 HTR3E (0.56) PKMRORCRAB9AHTR3EHTR3B
SCHEMBL10999344 0.75 CYP2C9 (0.63) MAPTHTR6PKMHTR3EHTR3B
SCHEMBL5652209 0.75 ALDH1A1 (0.49) MAPTGAKHSD11B1PRKCHPRKCE
SCHEMBL6874430 0.73 S100B (0.61) MAPTRECQLPKMRAB9AS100B

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-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed