SCHEMBL28707601

SCHEMBL28707601

CNc1ccc(-n2cc(F)cn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDO2 P48775 1/20 0.34
NTRK1 P04629 1/20 0.34
EGLN1 Q9GZT9 5/20 0.33
HTR2C P28335 1/20 0.33
GRM5 P41594 2/20 0.32
TNIK Q9UKE5 1/20 0.32
HDAC4 P56524 1/20 0.32
RET P07949 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GCGR P47871 1/20 0.31

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
SCHEMBL28535799 0.81 GCGR (0.45) ALDH1A1HDAC4GCGR
SCHEMBL28429024 0.81 EGLN1 (0.40) ALDH1A1EGLN1CYP1A2CYP3A4CYP2C9
SCHEMBL24922506 0.78 TDO2 (0.37) ALDH1A1TDO2NTRK1HTR2C
SCHEMBL30175308 0.77 RET (0.41) TDO2EGLN1GRM5RET
SCHEMBL23930252 0.77 RET (0.41) TDO2EGLN1GRM5RET
SCHEMBL19795878 0.76 RET (0.42) EGLN1RET
SCHEMBL30257913 0.76 RET (0.42) EGLN1RET
SCHEMBL28423281 0.75 TDO2 (0.35) ALDH1A1TDO2GRM5RET
SCHEMBL31435193 0.75 HCAR2 (0.39) TDO2EGLN1GRM5TNIK
SCHEMBL30452646 0.75 TDO2 (0.37) ALDH1A1TDO2EGLN1GRM5

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-115605477-B Pyrazolo [1,5-a ] pyridine derivative, preparation method, composition and application thereof 深圳众格生物科技有限公司 2024-07-05 CN disclosed
CN-114181205-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-115605477-A Pyrazolo [1,5-a ] pyridine derivative and preparation method, composition and application thereof 深圳众格生物科技有限公司(CN) 2023-01-13 CN disclosed
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed