SCHEMBL21394562

SCHEMBL21394562

CN1N=C(C(=O)Nc2ccc(Cc3ccc(F)c(C#N)c3)cn2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
FSCN1 Q16658 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
CACNA1H O95180 3/20 0.39
GPR6 P46095 1/20 0.37
RIPK3 Q9Y572 1/20 0.36
EP300 Q09472 2/20 0.36
PARP1 P09874 2/20 0.35
WNT3A P56704 1/20 0.35
PLA2G7 Q13093 4/20 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
SCHEMBL29355353 1.00 RAB9A (0.42) RAB9AFSCN1GPR52CACNA1HGPR6
SCHEMBL21394800 0.93 EP300 (0.42) RAB9AGPR52CACNA1HEP300
SCHEMBL21394588 0.88 RAB9A (0.42) RAB9APARP1
SCHEMBL29357018 0.88 RAB9A (0.42) RAB9APARP1
SCHEMBL22479674 0.86 RAB9A (0.44) RAB9AFSCN1GPR52
SCHEMBL29354561 0.85 RAB9A (0.44) RAB9AGPR52PARP1
SCHEMBL21394549 0.85 RAB9A (0.44) RAB9AGPR52PARP1
SCHEMBL29356974 0.85 RAB9A (0.46) RAB9AGPR52PARP1
SCHEMBL21384478 0.85 RAB9A (0.46) RAB9AGPR52PARP1
SCHEMBL21394752 0.85 RAB9A (0.41) RAB9AGPR52EP300

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 7 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
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed