SCHEMBL14934987

SCHEMBL14934987

C=C(C)Nc1cccc(N2CCCC2CO)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.48
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
PDK2 Q15119 2/20 0.41
PDK4 Q16654 1/20 0.41
ACVR1 Q04771 3/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK1 P06493 4/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PRKCA P17252 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL12411112 0.82 SYK (0.50) SYKADORA2AADORA1PDK2PDK4
SCHEMBL18176130 0.75 PIM1 (0.50) SYKADORA2AADORA1PDK2PDK4
SCHEMBL18013223 0.75 HTR3E (0.47) SYKADORA2AADORA1PDK2PDK4
SCHEMBL14890705 0.75 SYK (0.44) SYKADORA2AADORA1PDK2PDK4
SCHEMBL2412673 0.74 SYK (0.45) SYKADORA2AADORA1PDK2PDK4
SCHEMBL2637996 0.72 SYK (0.47) SYKADORA2AADORA1PDK2PDK4
SCHEMBL2637993 0.72 SYK (0.47) SYKADORA2AADORA1PDK2PDK4
SCHEMBL2638109 0.72 SYK (0.47) SYKADORA2AADORA1PDK2PDK4
SCHEMBL8326245 0.69 SYK (0.48) SYKADORA2AADORA1MKNK1MKNK2
SCHEMBL8326248 0.69 SYK (0.48) SYKADORA2AADORA1MKNK1MKNK2

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-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed