SCHEMBL23889532

SCHEMBL23889532

CC1CCC(NC(=O)OC(C)(C)C)CC(Nc2nc(Cl)cc3nccn23)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ BTK Q06187 4/20 0.38
▸ JAK1 P23458 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SUV39H2 Q9H5I1 5/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ CFTR P13569 1/20 0.34

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
SCHEMBL23889390 0.83 SUV39H2 (0.47) EIF2AK4SUV39H2
SCHEMBL22054131 0.83 SUV39H2 (0.47) EIF2AK4SUV39H2
SCHEMBL23889388 0.83 TYK2 (0.41) JAK1JAK2JAK3
SCHEMBL30227459 0.75 SUV39H2 (0.33) JAK1JAK2JAK3KMT2ASUV39H2
SCHEMBL12384778 0.72 BTK (0.59) BTKJAK1KMT2AL3MBTL1KDM1A
SCHEMBL17915687 0.72 BTK (0.59) BTKJAK1KMT2AL3MBTL1KDM1A
SCHEMBL12385790 0.72 BTK (0.59) BTKJAK1KMT2AL3MBTL1KDM1A
SCHEMBL12424495 0.72 BTK (0.59) BTKJAK1KMT2AL3MBTL1KDM1A
SCHEMBL14176830 0.72 BTK (0.59) BTKJAK1KMT2AL3MBTL1KDM1A
SCHEMBL15014612 0.72 BTK (0.59) BTKJAK1KMT2AL3MBTL1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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