SCHEMBL824025

SCHEMBL824025

O=C1CCCCC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.64
JAK2 O60674 19/20 0.64
CDK2 P24941 18/20 0.64
CCNA2 P20248 15/20 0.64
CCNA1 P78396 15/20 0.64
CCNE1 P24864 2/20 0.64
TYK2 P29597 11/20 0.54
JAK1 P23458 7/20 0.44
JAK3 P52333 3/20 0.44
ROCK2 O75116 1/20 0.43
CCNK O75909 1/20 0.43
STK10 O94804 1/20 0.43
PRKD3 O94806 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCB P05771 1/20 0.43
CDK1 P06493 1/20 0.43
RET P07949 1/20 0.43
CYP2D6 P10635 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL823901 0.90 FLT3 (0.78) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL823966 0.87 FLT3 (0.71) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL13676178 0.86 FLT3 (0.55) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL13675497 0.85 FLT3 (0.54) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL823914 0.79 JAK2 (1.00) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL823837 0.77 FLT3 (0.69) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL13675517 0.77 FLT3 (0.53) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL13675498 0.74 JAK2 (0.69) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL18793192 0.73 JAK2 (0.80) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL13675518 0.73 FLT3 (0.49) FLT3JAK2CDK2CCNA2CCNA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed