SCHEMBL28575862

SCHEMBL28575862

NC(=O)c1n[nH]c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.58
RBP4 P02753 1/20 0.45
MAP2 P11137 1/20 0.44
DYRK1A Q13627 4/20 0.44
WNT1 P04628 2/20 0.44
AHR P35869 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
MAPT P10636 1/20 0.43
MAP2K4 P45985 3/20 0.43
MPO P05164 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK6 Q16659 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL16252829 0.87 MAP2K4 (0.52) NTRK1RBP4MAPTMAP2K4MAPK1
SCHEMBL15253767 0.86 RBP4 (0.46) NTRK1RBP4DYRK1AWNT1AHR
SCHEMBL956608 0.85 PRKAG1 (0.55) NTRK1RBP4DYRK1AWNT1AHR
SCHEMBL591699 0.83 RBP4 (0.45) NTRK1RBP4DYRK1AWNT1AHR
SCHEMBL23368472 0.83 GSK3B (0.47) NTRK1DYRK1AWNT1CLK2CLK3
SCHEMBL20207316 0.83 NTRK1 (0.51) NTRK1DYRK1AWNT1
SCHEMBL8877161 0.81 JAK2 (0.54) NTRK1DYRK1AWNT1CLK2CLK3
SCHEMBL17039120 0.80 JAK2 (0.64) NTRK1DYRK1AWNT1CLK2CLK3
SCHEMBL6195016 0.80 DYRK1A (0.44) NTRK1DYRK1AWNT1CLK2CLK3
SCHEMBL15942818 0.80 MAP2K4 (0.62) NTRK1DYRK1AWNT1CLK2CLK3

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
CN-116438162-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2023-07-14 CN disclosed
CN-112805282-A Indazole-carboxamide derivatives and uses thereof 广东东阳光药业有限公司 2021-05-14 CN disclosed