SCHEMBL14023830

SCHEMBL14023830

C1=CC2COCCCc3cccc(c3)Nc3nccc(n3)C(=C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.41
FLT3 P36888 14/20 0.41
TYK2 P29597 12/20 0.41
CDK2 P24941 11/20 0.41
JAK1 P23458 10/20 0.41
JAK3 P52333 5/20 0.40
ALK Q9UM73 3/20 0.40
CCNA2 P20248 7/20 0.39
CCNA1 P78396 7/20 0.39
BMPR2 Q13873 1/20 0.38
ROCK2 O75116 1/20 0.37
CCNK O75909 1/20 0.37
STK10 O94804 1/20 0.37
PRKD3 O94806 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
PRKCB P05771 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14022774 0.74 JAK2 (0.61) JAK2FLT3TYK2CDK2JAK1
SCHEMBL14022786 0.72 JAK2 (0.73) JAK2FLT3TYK2CDK2JAK1
SCHEMBL14022734 0.69 JAK2 (0.45) JAK2FLT3TYK2CDK2JAK1
SCHEMBL13676178 0.67 FLT3 (0.55) JAK2FLT3TYK2CDK2JAK1
SCHEMBL13675497 0.67 FLT3 (0.54) JAK2FLT3TYK2CDK2JAK1
SCHEMBL824067 0.65 JAK2 (0.80) JAK2FLT3TYK2CDK2JAK1
SCHEMBL1075177 0.64 BMPR2 (0.62) JAK2FLT3TYK2CDK2JAK1
SCHEMBL24071979 0.64 JAK2 (0.48) JAK2FLT3TYK2CDK2JAK1
SCHEMBL13675518 0.62 FLT3 (0.49) JAK2FLT3TYK2CDK2JAK1
SCHEMBL20322485 0.62 FLT3 (0.82) 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