SCHEMBL14023939

SCHEMBL14023939

OCCN1CCN(c2ccc3cc2COC/C=C/CCOc2cc(ccn2)-c2nc(ncc2F)N3)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.61
FLT3 P36888 18/20 0.61
JAK1 P23458 17/20 0.61
TYK2 P29597 16/20 0.61
CDK2 P24941 14/20 0.61
JAK3 P52333 11/20 0.61
CYP3A4 P08684 3/20 0.61
CCNA2 P20248 11/20 0.56
CCNA1 P78396 9/20 0.56
KCNH2 Q12809 1/20 0.56
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CYP2D6 P10635 1/20 0.42

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
SCHEMBL14022828 0.92 JAK2 (0.61) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022824 0.92 JAK2 (0.71) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022823 0.92 JAK2 (0.60) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022825 0.90 JAK2 (0.63) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022973 0.88 JAK2 (0.54) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14023948 0.88 JAK2 (0.57) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022833 0.86 JAK2 (0.59) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022847 0.84 JAK2 (0.70) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14023553 0.84 JAK2 (0.85) JAK2FLT3JAK1TYK2CDK2
SCHEMBL14022818 0.84 JAK2 (0.79) JAK2FLT3JAK1TYK2CDK2

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-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed