SCHEMBL21395054

SCHEMBL21395054

Cn1cc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.41
DEGS1 O15121 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RARG P13631 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL29358537 1.00 GCK (0.41) GCKDEGS1KDM4ERARGCYP3A4
SCHEMBL21394784 0.91 GCK (0.44) GCKDEGS1KDM4ERARG
SCHEMBL29356925 0.91 GCK (0.44) GCKDEGS1KDM4ERARG
SCHEMBL21394648 0.89 SIRT2 (0.43) DEGS1CYP3A4
SCHEMBL21394655 0.87 CYP3A4 (0.40) GCKDEGS1CYP3A4
SCHEMBL29357122 0.87 CREBBP (0.46) GCKDEGS1
SCHEMBL21394857 0.87 CREBBP (0.46) GCKDEGS1
SCHEMBL21395151 0.85 EP300 (0.40) GCKDEGS1KDM4ERARG
SCHEMBL21394990 0.85 DEGS1 (0.41) GCKDEGS1RARGCYP3A4
SCHEMBL21394550 0.84 KDM4E (0.51) GCKDEGS1KDM4E

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