SCHEMBL24464181

SCHEMBL24464181

N=Cc1cc(Nc2cc(Cl)nc(N3CCCC3)n2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 9/20 0.44
GALR1 P47211 6/20 0.42
POLA1 P09884 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ROCK2 O75116 2/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL24862370 0.80 POLA1 (0.47) POLA1MAPTPOLBROCK2GAA
SCHEMBL10143395 0.74 GALR2 (0.64) GALR2GALR1MAPTNPSR1LMNA
SCHEMBL10144177 0.72 GALR2 (0.82) GALR2GALR1MAPTPOLBGAA
SCHEMBL15639408 0.72 ROCK2 (0.66) ROCK2PIK3CA
SCHEMBL21573639 0.71 CYP1A2 (0.48) POLA1MAPTPOLBNPSR1ROCK2
SCHEMBL20783969 0.70 ROCK2 (0.64) ROCK2
SCHEMBL20783917 0.70 ROCK2 (0.63) ROCK2
SCHEMBL21573654 0.70 ROCK2 (0.60) ROCK2
SCHEMBL21573627 0.69 ROCK1 (0.44) ROCK2
SCHEMBL17673536 0.67 LMNA (0.61) MAPTPOLBNPSR1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116293-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2023-01-11 EP disclosed
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 EP disclosed