SCHEMBL30162928

SCHEMBL30162928

Nc1cncc(-n2nc(Nc3ccc4c(cnn4C4CCCCO4)c3Cl)c3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KDM4C Q9H3R0 5/20 0.33
▸ CYP11B2 P19099 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL31216565 0.88 KDM4C (0.36) RXRARXRBRXRGKDM4CRORC
SCHEMBL29218310 0.88 RXRA (0.33) RXRARXRBRXRGKDM4CCYP11B2
SCHEMBL30162968 0.88 RXRA (0.33) RXRARXRBRXRGKDM4CCYP11B2
SCHEMBL30163046 0.87 RXRA (0.34) RXRARXRBRXRGKDM4CRORC
SCHEMBL30163167 0.87 RXRA (0.33) RXRARXRBRXRGKDM4CRORC
SCHEMBL24934015 0.83 BRD4 (0.34) RXRARXRBRXRGKDM4CRORC
SCHEMBL30162906 0.83 BRD4 (0.34) RXRARXRBRXRGKDM4CRORC
SCHEMBL29218181 0.82 AURKA (0.35) RXRARXRBRXRGRORCALDH1A1
SCHEMBL30162740 0.82 AURKA (0.35) RXRARXRBRXRGRORCALDH1A1
SCHEMBL29218300 0.82 RXRA (0.32) RXRARXRBRXRGKDM4C

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
Send feedback