SCHEMBL29632307

SCHEMBL29632307

COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.87
KCNH2 Q12809 15/20 0.87
NUAK1 O60285 1/20 0.77
CHEK2 O96017 1/20 0.77
RPS6KB1 P23443 1/20 0.77
FLT3 P36888 1/20 0.77
BLK P51451 1/20 0.77
PRKAG1 P54619 1/20 0.77
PRKAA1 Q13131 1/20 0.77
PRKAB1 Q9Y478 1/20 0.77

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
SCHEMBL24945094 1.00 CHEK1 (0.87) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Hydrochloric Acid SCHEMBL26668648 0.99 CHEK1 (0.85) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Phosphoric Acid SCHEMBL29632569 0.95 CHEK1 (0.79) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Phosphoric Acid SCHEMBL26668654 0.95 CHEK1 (0.79) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936228 0.93 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29045199 0.89 CHEK1 (0.70) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632518 0.89 CHEK1 (0.70) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936227 0.88 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632541 0.88 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24935532 0.88 CHEK1 (0.72) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403571-A Therapeutic agent for cancer having therapeutic resistance to immune checkpoint inhibitor 住友制药株式会社 2025-02-07 CN claimed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN claimed
WO-2022114189-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE 住友ファーマ株式会社 2022-06-02 WO claimed
CN-119403571-A Therapeutic agent for cancer having therapeutic resistance to immune checkpoint inhibitor 住友制药株式会社 2025-02-07 CN disclosed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN disclosed
WO-2022114189-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE 住友ファーマ株式会社 2022-06-02 WO disclosed