SCHEMBL14022786

SCHEMBL14022786

c1cc2cc(c1)Nc1nccc(n1)-c1ccc(o1)COCCC2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.73
FLT3 P36888 15/20 0.73
TYK2 P29597 15/20 0.73
CDK2 P24941 13/20 0.73
JAK1 P23458 11/20 0.73
JAK3 P52333 6/20 0.47
CSF1R P07333 1/20 0.47
CYP2C19 P33261 1/20 0.47
CDK9 P50750 1/20 0.47
CCNA2 P20248 5/20 0.42
CCNA1 P78396 5/20 0.42
ALK Q9UM73 1/20 0.42
BMPR2 Q13873 1/20 0.40

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
SCHEMBL1108253 0.84 FLT3 (1.00) JAK2FLT3TYK2CDK2JAK1
SCHEMBL14022774 0.82 JAK2 (0.61) JAK2FLT3TYK2CDK2JAK1
SCHEMBL823863 0.77 FLT3 (1.00) JAK2FLT3TYK2CDK2JAK1
SCHEMBL14022780 0.77 FLT3 (0.76) JAK2FLT3TYK2CDK2JAK1
SCHEMBL14022785 0.77 FLT3 (0.76) JAK2FLT3TYK2CDK2JAK1
SCHEMBL13676178 0.72 FLT3 (0.55) JAK2FLT3TYK2CDK2JAK1
SCHEMBL14023830 0.72 JAK2 (0.41) JAK2FLT3TYK2CDK2JAK1
SCHEMBL13675497 0.71 FLT3 (0.54) JAK2FLT3TYK2CDK2JAK1
SCHEMBL24071979 0.68 JAK2 (0.48) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824067 0.67 JAK2 (0.80) JAK2FLT3TYK2CDK2JAK1

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-2008140420-A2 PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed