SCHEMBL30163121

SCHEMBL30163121

Clc1nccc(-n2nc(Nc3ccc4c(cnn4C4CCCCO4)c3)c3ccccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ATR Q13535 12/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL29218262 1.00 RXRA (0.40) RXRARXRBRXRGATRMAPK13
SCHEMBL30162841 0.89 RXRA (0.41) RXRARXRBRXRGMAPK13MAPK8
SCHEMBL29218215 0.89 RXRA (0.41) RXRARXRBRXRGMAPK13MAPK8
SCHEMBL30163099 0.82 RXRA (0.39) RXRARXRBRXRGEGFRSYK
SCHEMBL29218242 0.82 RXRA (0.39) RXRARXRBRXRGEGFRSYK
SCHEMBL30163081 0.81 RXRA (0.43) RXRARXRBRXRGMAPK13MAPK8
SCHEMBL30163129 0.78 RXRA (0.41) RXRARXRBRXRG
SCHEMBL29218301 0.77 RXRA (0.39) RXRARXRBRXRGATRMAPK13
SCHEMBL30163082 0.77 RXRA (0.39) RXRARXRBRXRGATRMAPK13
SCHEMBL30163058 0.76 GRM4 (0.39) GRM4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 — — EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 — — CN disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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