SCHEMBL2345790

SCHEMBL2345790

CC1CCCN1c1cc(-c2cnc3[nH]cc(CC(C)(C)C)c3n2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPA Q5VT25 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37
SYK P43405 14/20 0.36
MAPK1 P28482 2/20 0.36
ASIC3 Q9UHC3 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 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
SCHEMBL3401593 0.90 SYK (0.36) ROCK2ROCK1CDC42BPACDC42BPBSYK
SCHEMBL1887679 0.82 JAK3 (0.47) SYK
SCHEMBL3397988 0.73 LRRK2 (0.39) SYKMAPK1PIM1
SCHEMBL3399528 0.73 LRRK2 (0.39) SYKMAPK1PIM1
SCHEMBL2341240 0.72 LRRK2 (0.38) SYKMAPK1
SCHEMBL3399555 0.72 ITGB2 (0.39) ROCK2ROCK1CDC42BPBMAPK1PIM1
SCHEMBL3396373 0.71 JAK3 (0.44) MAPK1
SCHEMBL3401949 0.71 MAPK1 (0.35) MAPK1
SCHEMBL3397858 0.71 HRH4 (0.42) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL3400811 0.69 ADK (0.48) SYK

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-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed