SCHEMBL19951640

SCHEMBL19951640

CN1CCN(c2ccc(-c3cc(-c4c(F)cccc4C(F)(F)F)[nH]n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.60
PRKD1 Q15139 9/20 0.52
MAP4K1 Q92918 9/20 0.47
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL28903809 0.90 MELK (0.70) MELKPRKD1MAP4K1
SCHEMBL19951632 0.89 MELK (0.59) MELKPRKD1MAP4K1
SCHEMBL28903756 0.86 MELK (0.64) MELKPRKD1MAP4K1
SCHEMBL28903817 0.85 MELK (0.63) MELKPRKD1MAP4K1
SCHEMBL28903759 0.83 MAP4K1 (0.64) MELKPRKD1MAP4K1
SCHEMBL19951688 0.82 MELK (0.72) MELKPRKD1MAP4K1
SCHEMBL28965179 0.81 MELK (0.66) MELKPRKD1MAP4K1
SCHEMBL28960285 0.81 MELK (0.57) MELKPRKD1MAP4K1
SCHEMBL28903771 0.80 MELK (0.71) MELKPRKD1MAP4K1
SCHEMBL28977189 0.79 MELK (0.73) MELKPRKD1MAP4K1

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
EP-3510032-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER Incyte Corporation (US) 2019-07-17 EP disclosed
WO-2018049200-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed