SCHEMBL29355405

SCHEMBL29355405

CN1N=C(C(=O)Nc2ccc(Cc3cccc(C#N)c3)cn2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
RIPK1 Q13546 2/20 0.40
EP300 Q09472 2/20 0.39
IDH1 O75874 1/20 0.39
AURKA O14965 1/20 0.38
ITK Q08881 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
F10 P00742 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
FAAH O00519 1/20 0.36
KIT P10721 1/20 0.36
VNN1 O95497 1/20 0.36
PARP1 P09874 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
SCHEMBL21395036 1.00 RAB9A (0.42) RAB9ARIPK1EP300IDH1AURKA
SCHEMBL21394752 0.88 RAB9A (0.41) RAB9ARIPK1EP300
SCHEMBL29356890 0.88 RAB9A (0.41) RAB9ARIPK1EP300
SCHEMBL29356885 0.88 RAB9A (0.41) RAB9ARIPK1EP300SIRT2F10
SCHEMBL21395110 0.88 RAB9A (0.41) RAB9ARIPK1EP300SIRT2F10
SCHEMBL22479693 0.87 RAB9A (0.45) RAB9AF10PARP1
SCHEMBL21395053 0.86 RAB9A (0.44) RAB9AF10PARP1
SCHEMBL21394559 0.86 RAB9A (0.44) RAB9APARP1
SCHEMBL21394773 0.86 RAB9A (0.44) RAB9AF10PARP1
SCHEMBL29358581 0.86 RAB9A (0.44) RAB9APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed