SCHEMBL29974199

SCHEMBL29974199

OCc1cccc2c1CCN2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
BRD4 O60885 3/20 0.39
CHRNE Q04844 1/20 0.36
PKM P14618 1/20 0.36
PARP1 P09874 1/20 0.36
CDK2 P24941 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3884626 1.00 NOTUM (0.40) NOTUMBRD4CHRNEPKMPARP1
SCHEMBL3502666 0.89 CHRNE (0.41) BRD4CHRNEPKMBCHE
SCHEMBL14234870 0.85 CDK2 (0.44) NOTUMBRD4PKMPARP1CDK2
SCHEMBL1881886 0.82 CDK2 (0.38) NOTUMBRD4PKMPARP1CDK2
SCHEMBL4999700 0.81 PNMT (0.41) NOTUMBRD4PKMPARP1BCHE
SCHEMBL5542232 0.81 NOTUM (0.44) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL22175660 0.81 NOTUM (0.40) NOTUMBRD4PKMPARP1PARP10
SCHEMBL5535553 0.81 NOTUM (0.40) NOTUMBRD4PKMPARP1PARP10
SCHEMBL27939286 0.79 AKR1B1 (0.43) NOTUMBRD4PKMPARP1
SCHEMBL24654698 0.78 NOTUM (0.38) NOTUMBRD4PKMCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227054-B ROCK kinase inhibitors 切尔韦洛治疗有限责任公司 2025-04-11 CN disclosed
EP-4426681-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS Sitryx Therapeutics Limited (GB) 2024-09-11 EP disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO disclosed
CN-115397467-A Therapeutic agent for tauopathy 住友制药株式会社 2022-11-25 CN disclosed