SCHEMBL2412673

SCHEMBL2412673

OCC1NCCC1Nc1cccc(N2CCCC2CO)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
PDK2 Q15119 2/20 0.39
PDK4 Q16654 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
BCL6 P41182 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CHUK O15111 2/20 0.35
ACVR1 Q04771 3/20 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
SCHEMBL12411112 0.76 SYK (0.50) SYKPDK2PDK4ADORA2AADORA1
SCHEMBL14934987 0.74 SYK (0.48) SYKPDK2PDK4ADORA2AADORA1
SCHEMBL18013223 0.71 HTR3E (0.47) SYKPDK2PDK4PIM1PIM3
SCHEMBL18176130 0.71 PIM1 (0.50) SYKPDK2PDK4PIM1PIM3
SCHEMBL14890705 0.71 SYK (0.44) SYKPDK2PDK4PIM1PIM3
SCHEMBL2637996 0.68 SYK (0.47) SYKPDK2PDK4PIM1PIM3
SCHEMBL2637993 0.68 SYK (0.47) SYKPDK2PDK4PIM1PIM3
SCHEMBL2638109 0.68 SYK (0.47) SYKPDK2PDK4PIM1PIM3
SCHEMBL8326245 0.65 SYK (0.48) SYKADORA2AADORA1ADORA3ADORA2B
SCHEMBL8326248 0.65 SYK (0.48) SYKADORA2AADORA1ADORA3ADORA2B

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-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed