SCHEMBL21394875

SCHEMBL21394875

Cn1ccc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR6 P46095 1/20 0.40

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
SCHEMBL29358580 1.00 EP300 (0.42) EP300GSK3BDYRK1ANPC1TSHR
SCHEMBL21394628 0.87 ALDH1A1 (0.41) EP300NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL29357585 0.87 ALDH1A1 (0.41) EP300NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL21394938 0.84 TMPRSS4 (0.47)
SCHEMBL21394690 0.84 NPC1 (0.47) GSK3BDYRK1ANPC1TSHRRAB9A
SCHEMBL29358408 0.84 NPC1 (0.47) GSK3BDYRK1ANPC1TSHRRAB9A
SCHEMBL21394693 0.84 SIRT2 (0.37)
SCHEMBL29355390 0.84 ABCC8 (0.38) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL21394482 0.84 ABCC8 (0.38) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL21395002 0.82 TMPRSS4 (0.41) NPC1TSHRRAB9ASMN1; SMN2

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