SCHEMBL29045157

SCHEMBL29045157

COc1cncc(OCC(O)CN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 1.00
KCNH2 Q12809 17/20 0.85

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
SCHEMBL24936322 1.00 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL29632178 1.00 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL29632561 0.92 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL29632455 0.92 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL24936182 0.92 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL24936286 0.92 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL29045138 0.92 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL24936326 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL24936327 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL29045136 0.91 CHEK1 (1.00) CHEK1KCNH2

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-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN claimed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN disclosed