SCHEMBL30101613

SCHEMBL30101613

COc1ccc(F)c(O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.64
KCNH2 Q12809 9/20 0.64
NUAK1 O60285 1/20 0.64
CHEK2 O96017 1/20 0.64
RPS6KB1 P23443 1/20 0.64
FLT3 P36888 1/20 0.64
BLK P51451 1/20 0.64
PRKAG1 P54619 1/20 0.64
PRKAA1 Q13131 1/20 0.64
PRKAB1 Q9Y478 1/20 0.64

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
SCHEMBL19243743 1.00 CHEK1 (0.64) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24977776 0.86 CHEK1 (0.75) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327299 0.85 CHEK1 (0.63) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327289 0.84 CHEK1 (0.57) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL1973740 0.84 CHEK1 (0.72) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29788604 0.84 CHEK1 (0.72) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208022 0.83 CHEK1 (0.76) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327328 0.83 CHEK1 (0.61) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Hydrochloric Acid SCHEMBL28560262 0.83 CHEK1 (0.70) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Hydrochloric Acid SCHEMBL1975059 0.82 CHEK1 (0.69) CHEK1KCNH2NUAK1CHEK2RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347582-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-04-10 EP disclosed
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
WO-2022251502-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2022-12-01 WO disclosed