SCHEMBL24934159

SCHEMBL24934159

C/C=C(\C=N)C(=O)Nc1cccc(-n2nc(Nc3ccc(/C(C=N)=C/N)cc3)c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.38
▸ KHK P50053 2/20 0.33
▸ BTK Q06187 2/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ KIT P10721 2/20 0.32
▸ DDR1 Q08345 2/20 0.32
▸ DDR2 Q16832 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ F10 P00742 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ MAPK10 P53779 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ELANE P08246 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
SCHEMBL24934332 0.84 RORC (0.34) RORC
SCHEMBL24934259 0.73 ABCG2 (0.41) RORCABL1KITDDR1DDR2
SCHEMBL24934145 0.73 RORC (0.32) RORC
SCHEMBL24934323 0.71 RORC (0.37) RORCABL1KITDDR1DDR2
SCHEMBL24933684 0.70 KIT (0.30) RORCKIT
SCHEMBL24934295 0.68 ABCG2 (0.38) RORCBTKMAPK10MEN1KMT2A
SCHEMBL24933540 0.68 RORC (0.33) RORC
SCHEMBL24934206 0.68 ABL1 (0.39) RORCABL1KITDDR2MAPK14
SCHEMBL24934157 0.65 RORC (0.35) RORC
SCHEMBL4784150 0.65 RORC (0.51) RORCABL1ADORA3MAPK14MEN1

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
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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