SCHEMBL29608147

SCHEMBL29608147

Cc1cnc(Cl)nc1NCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.51
CCNT1 O60563 3/20 0.47
APP P05067 1/20 0.46
CLK4 Q9HAZ1 3/20 0.46
USP1 O94782 1/20 0.46
WDR48 Q8TAF3 1/20 0.46
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45

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
SCHEMBL19675773 1.00 NTRK1 (0.51) NTRK1CCNT1APPCLK4USP1
SCHEMBL29392704 0.88 NTRK1 (0.62) NTRK1CCNT1NTRK3NTRK2
SCHEMBL28713125 0.88 NTRK1 (0.62) NTRK1CCNT1NTRK3NTRK2
SCHEMBL22866364 0.86 PDE2A (0.56) APPCLK4USP1WDR48
SCHEMBL15584955 0.84 NTRK1 (0.50) NTRK1CCNT1APPCLK4AURKA
SCHEMBL29695608 0.83 MEN1 (0.46) USP1WDR48
SCHEMBL7260597 0.83 PDE5A (0.55) APPUSP1WDR48
SCHEMBL25436239 0.80 KDM5A (0.51) NTRK1CCNT1APPAURKAJAK2
SCHEMBL18303253 0.80 APP (0.47) NTRK1CCNT1APPCLK4AURKA
SCHEMBL15533833 0.80 PDE4A (0.44) CLK4JAK2LCKCLK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341145-B Chemical compound 博拉公司 2024-08-16 CN disclosed
EP-3994142-A1 CHEMICAL COMPOUNDS Borah, Inc. (US) 2022-05-11 EP disclosed
CN-114341145-A Chemical compound 博拉公司 2022-04-12 CN disclosed