SCHEMBL19683754

SCHEMBL19683754

CC(=O)N1CCN(c2ccc(C(=N)c3c(N)ncnc3Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.52
FLT3 P36888 12/20 0.47
KDR P35968 3/20 0.47
AURKA O14965 1/20 0.47
BRAF P15056 2/20 0.47
RIPK1 Q13546 1/20 0.47
NTRK1 P04629 2/20 0.47
NTRK3 Q16288 2/20 0.47
NTRK2 Q16620 2/20 0.47
MAPK13 O15264 1/20 0.47
MAP3K7 O43318 1/20 0.47
CCNT1 O60563 1/20 0.47
RAF1 P04049 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
HCK P08631 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
CDK4 P11802 1/20 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
SCHEMBL23047344 0.91 RET (0.53) RETFLT3KDRAURKABRAF
SCHEMBL20878898 0.89 RET (0.52) RETFLT3KDRAURKABRAF
SCHEMBL20878980 0.85 FLT3 (0.53) RETFLT3KDRBRAFNTRK1
SCHEMBL19683696 0.84 FLT3 (0.59) RETFLT3KDRBRAFRIPK1
SCHEMBL19683715 0.84 RAF1 (0.59) RETFLT3KDRBRAFRIPK1
SCHEMBL20878884 0.84 FLT3 (0.60) RETFLT3KDRBRAFRIPK1
SCHEMBL19683764 0.84 RET (0.52) RETFLT3KDRBRAFRIPK1
SCHEMBL19683602 0.83 FLT3 (0.55) RETFLT3KDRAURKABRAF
SCHEMBL19683716 0.83 BRAF (0.52) RETFLT3KDRBRAFRIPK1
SCHEMBL20878939 0.83 RET (0.51) RETFLT3KDRBRAFRIPK1

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