SCHEMBL3967643

SCHEMBL3967643

c1csc(-c2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
SYK P43405 1/20 0.56
BRAF P15056 1/20 0.52
KCNH2 Q12809 1/20 0.51
JAK2 O60674 3/20 0.51
JAK3 P52333 3/20 0.51
AXL P30530 2/20 0.50
BACE1 P56817 4/20 0.49
EGFR P00533 1/20 0.49
INSR P06213 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
SRC P12931 2/20 0.48
AIMP2 Q13155 1/20 0.48
PTK2 Q05397 1/20 0.48
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47

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
SCHEMBL3973092 0.82 SRC (0.65) HRH3SYKBRAFJAK2JAK3
SCHEMBL3963672 0.81 AXL (0.60) HRH3SYKBRAFKCNH2JAK2
SCHEMBL4254804 0.80 AXL (0.64) HRH3BRAFJAK2JAK3AXL
SCHEMBL4074376 0.78 HRH3 (0.62) HRH3BRAFJAK2JAK3AXL
SCHEMBL7466134 0.78 MEN1 (0.62) SYKCDK2KDRSRCPTK2
SCHEMBL12109533 0.78 HRH3 (0.77) HRH3SYKBRAFJAK2JAK3
SCHEMBL3969268 0.77 HRH3 (0.46) HRH3BRAFKCNH2JAK2JAK3
SCHEMBL31025683 0.77 HRH3 (0.56) HRH3KCNH2LTA4H
SCHEMBL14140330 0.76 AIMP2 (0.54) SYKEGFRAIMP2ABL1BCR
SCHEMBL12278133 0.76 HRH3 (0.69) HRH3SYKBRAFJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed