Sugi Predict

Sugi Predict / Compounds / SCHEMBL22902504

SCHEMBL22902504

SCHEMBL22902504

Nc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)nn2C1CC(N)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.63
▸ LCK P06239 2/20 0.63
▸ LYN P07948 1/20 0.63
▸ NUDT14 O95848 1/20 0.59
▸ NUDT5 Q9UKK9 1/20 0.59
▸ SRC P12931 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ TEK Q02763 1/20 0.56
▸ EGFR P00533 1/20 0.53
▸ PIK3CD O00329 1/20 0.52

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
SCHEMBL22902887 0.89 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL18645940 0.89 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL24041322 0.89 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL29441905 0.87 BTK (0.62) BTKLCKLYNNUDT14NUDT5
SCHEMBL22230740 0.87 BTK (0.62) BTKLCKLYNNUDT14NUDT5
SCHEMBL18647206 0.86 BTK (0.55) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243247 0.86 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL14576487 0.85 SRC (0.64) BTKLCKLYNNUDT14NUDT5
SCHEMBL14576488 0.85 SRC (0.64) BTKLCKLYNNUDT14NUDT5
SCHEMBL13860289 0.84 BTK (0.65) BTKLCKLYNNUDT14NUDT5

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
WO-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 — — WO disclosed