SCHEMBL19951691

SCHEMBL19951691

CN1CCN(c2ccc(-c3cc(Cl)n(COCC[Si](C)(C)C)n3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 2/20 0.37
CHKA P35790 1/20 0.37
CHEK1 O14757 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KHK P50053 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.36
PRKD1 Q15139 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL28903752 0.77 FGFR3 (0.36) DGAT1
SCHEMBL19950721 0.77 ALK (0.44) HRH3DGAT1ALK
SCHEMBL30070358 0.76 ALK (0.41) HRH3DGAT1ALK
SCHEMBL19950416 0.76 ALK (0.41) HRH3DGAT1ALK
SCHEMBL19949945 0.75 RET (0.37) KDM4ENPC1MAPTXBP1RAB9A
SCHEMBL25435128 0.75 MAP4K1 (0.37) MELKKDM4ENPC1MAPTXBP1
SCHEMBL28700796 0.74 PIM1 (0.37) MELKKDM4ENPC1MAPTRAB9A
SCHEMBL19948718 0.74 RET (0.40) SMN1; SMN2CHEK1HRH3DGAT1ALK
SCHEMBL19950769 0.71 MAP4K1 (0.39) MELKKDM4EMAPTCHEK1PRKD1
SCHEMBL21484350 0.70 PIM1 (0.40) NPC1MAPTRAB9AHRH3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 CN disclosed
CN-109923114-B Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2022-11-01 CN disclosed
WO-2018049214-A9 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-10-18 WO disclosed
WO-2018049214-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed