SCHEMBL19683694

SCHEMBL19683694

N=C(c1ccc(OCCN2CCCCC2)cc1)c1c(N)ncnc1Nc1ccc(NC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
SYK P43405 2/20 0.46
BRD4 O60885 3/20 0.44
JAK1 P23458 3/20 0.44
HDAC1 Q13547 3/20 0.44
RET P07949 1/20 0.44
TYK2 P29597 1/20 0.44
FLT3 P36888 1/20 0.44
JAK3 P52333 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PSMB1 P20618 6/20 0.43
PSMB5 P28074 6/20 0.43
PSMB2 P49721 4/20 0.43
INSR P06213 1/20 0.41
AXL P30530 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.41
ERBB2 P04626 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL19683782 0.92 EGFR (0.45) JAK2SYKKDM4EAURKAERBB2
SCHEMBL19683618 0.89 JAK2 (0.40) JAK2SYKBRD4JAK1HDAC1
SCHEMBL20878890 0.89 BRD4 (0.45) JAK2SYKBRD4JAK1HDAC1
SCHEMBL20878968 0.87 SRC (0.44) HDAC1FLT3JAK3AURKAERBB2
SCHEMBL20878986 0.83 EGFR (0.47) SYKRETKDM4EAURKAERBB2
SCHEMBL19683791 0.82 EPHX2 (0.40) JAK2SYKERBB2
SCHEMBL23047300 0.82 ERBB2 (0.47) JAK2SYKPSMB1PSMB5AXL
SCHEMBL19683816 0.82 EGFR (0.42) RETFLT3KDM4EAURKAERBB2
SCHEMBL20878982 0.81 SMN1; SMN2 (0.45) JAK2SYKBRD4JAK1HDAC1
SCHEMBL20878942 0.81 EGFR (0.45) SYKRETFLT3KDM4EERBB2

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-2017206962-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF 合肥中科普瑞昇生物医药科技有限公司 2017-12-07 WO disclosed