SCHEMBL19683762

SCHEMBL19683762

C=C(C(=O)Nc1cc(C(C)(C)C)on1)c1ccc(Nc2ncnc(N)c2C(=N)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.45
FLT3 P36888 6/20 0.44
BRAF P15056 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NTRK1 P04629 3/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
RIPK1 Q13546 1/20 0.41
MAPK13 O15264 1/20 0.41
MAP3K7 O43318 1/20 0.41
CCNT1 O60563 1/20 0.41
RAF1 P04049 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 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
SCHEMBL19683696 0.88 FLT3 (0.59) RETFLT3BRAFMEN1NPC1
SCHEMBL19683697 0.87 RET (0.44) RETFLT3BRAFMEN1NPC1
SCHEMBL20878886 0.83 RAF1 (0.64) FLT3BRAFMEN1NPC1RAB9A
SCHEMBL23047347 0.81 RAF1 (0.48) RETFLT3BRAFMAPK13RAF1
SCHEMBL19683630 0.81 RAF1 (0.47) RETFLT3BRAFNTRK1NTRK3
SCHEMBL19683715 0.81 RAF1 (0.59) RETFLT3BRAFNTRK1NTRK3
SCHEMBL20878884 0.81 FLT3 (0.60) RETFLT3BRAFNTRK1NTRK3
SCHEMBL19683716 0.80 BRAF (0.52) RETFLT3BRAFNTRK1NTRK3
SCHEMBL20878949 0.80 RET (0.51) RETFLT3BRAFNTRK1NTRK3
SCHEMBL19683603 0.80 FLT3 (0.62) RETFLT3BRAFNTRK1NTRK3

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