SCHEMBL28375718

SCHEMBL28375718

CCCc1nn(C)c2c(Nc3ccccc3)nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.57
FLT3 P36888 3/20 0.43
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
TUBB8B A6NNZ2 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL28375719 1.00 TERT (0.57) TERTFLT3TUBB4ATUBBTUBA3C
SCHEMBL28374042 0.90 TERT (0.54) TERTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28374039 0.90 TERT (0.54) TERTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28373459 0.88 TERT (0.51) TERTEGFR
SCHEMBL28373456 0.88 TERT (0.51) TERTEGFR
SCHEMBL28377952 0.85 TERT (0.54) TERTFLT3
SCHEMBL28377954 0.85 TERT (0.54) TERTFLT3
SCHEMBL28378147 0.84 TERT (0.59) TERTFLT3
SCHEMBL28378150 0.84 TERT (0.59) TERTFLT3
SCHEMBL28373320 0.81 PTGS2 (0.42) TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108503648-B Styryl pyrazolopyrimidine compound, pharmaceutical composition, preparation method and application 安徽医科大学 2020-04-14 CN disclosed