SCHEMBL30565799

SCHEMBL30565799

O=c1[nH]c2ccncc2n1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.56
▸ NTRK2 Q16620 8/20 0.56
▸ IGF1R P08069 5/20 0.56
▸ FGFR1 P11362 5/20 0.56
▸ NTRK3 Q16288 4/20 0.56
▸ TNKS O95271 2/20 0.54
▸ DAO P14920 1/20 0.48
▸ BLK P51451 2/20 0.43
▸ LYN P07948 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL18741408 0.90 NTRK1 (0.56) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL1699090 0.86 DAO (0.62) TNKSDAOMEN1LMNAKMT2A
SCHEMBL28496706 0.84 NTRK1 (0.51) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL29690950 0.82 TNKS (0.54) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL16456362 0.79 DAO (0.54) TNKSDAOMEN1LMNAKMT2A
SCHEMBL28090539 0.78 NTRK1 (0.55) NTRK1NTRK2IGF1RFGFR1NTRK3
Hydrochloric Acid SCHEMBL30760859 0.77 NTRK1 (0.53) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL16456333 0.76 TNKS (0.51) TNKSDAOMEN1KMT2AMGLL
SCHEMBL16455946 0.76 TNKS (0.51) TNKSDAOMEN1LMNAKMT2A
SCHEMBL28090395 0.75 NTRK1 (0.55) NTRK1NTRK2IGF1RFGFR1NTRK3

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-113149983-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2024-03-29 — — CN disclosed
CN-116710452-A 4-amino-3- (4-phenoxyphenyl) -1, 3-dihydro-2H-imidazo [4,5-C ] pyridin-2-one derivatives and salts thereof 建新公司 2023-09-05 — — CN disclosed
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