SCHEMBL29578263

SCHEMBL29578263

CN(C)C(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.77
CHEK2 O96017 4/20 0.65
KCNH2 Q12809 1/20 0.43

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
SCHEMBL22943210 1.00 CHEK1 (0.77) CHEK1CHEK2KCNH2
SCHEMBL26976841 0.88 CHEK1 (0.67) CHEK1CHEK2KCNH2
SCHEMBL22944497 0.88 CHEK1 (0.77) CHEK1CHEK2
SCHEMBL22944460 0.88 CHEK1 (0.66) CHEK1CHEK2KCNH2
SCHEMBL29578234 0.88 CHEK1 (0.66) CHEK1CHEK2KCNH2
SCHEMBL620093 0.87 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL26976896 0.87 CHEK1 (0.78) CHEK1CHEK2
SCHEMBL22944622 0.86 CHEK1 (0.58) CHEK1CHEK2
SCHEMBL26976925 0.86 CHEK1 (0.66) CHEK1CHEK2
SCHEMBL22944179 0.84 CHEK1 (0.61) CHEK1CHEK2KCNH2

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
EP-4298095-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF Sperogenix Therapeutics Limited (HK) 2024-01-03 EP claimed
WO-2022162606-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF SPEROGENIX THERAPEUTICS LIMITED (CN) 2022-08-04 WO claimed
CN-114728949-B Heterocyclic compounds as kinase inhibitors and uses thereof 曙方医药 2024-11-12 CN disclosed
EP-4298095-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF Sperogenix Therapeutics Limited (HK) 2024-01-03 EP disclosed
WO-2022162606-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF SPEROGENIX THERAPEUTICS LIMITED (CN) 2022-08-04 WO disclosed
EP-4007757-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF Integral Biosciences Pvt. Ltd. (IN) 2022-06-08 EP disclosed