SCHEMBL19683716

SCHEMBL19683716

CN(C)c1ccc(C(=N)c2c(N)ncnc2Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.52
RET P07949 5/20 0.52
FLT3 P36888 10/20 0.51
RAF1 P04049 2/20 0.51
NTRK1 P04629 2/20 0.51
NTRK3 Q16288 2/20 0.51
NTRK2 Q16620 2/20 0.51
RIPK1 Q13546 1/20 0.50
KDR P35968 2/20 0.49
MAPK13 O15264 1/20 0.49
MAP3K7 O43318 1/20 0.49
CCNT1 O60563 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
HCK P08631 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FGFR1 P11362 1/20 0.49
CDK4 P11802 1/20 0.49
PDGFRA P16234 1/20 0.49

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
SCHEMBL19683646 0.91 RET (0.40) BRAFRETFLT3RAF1NTRK1
SCHEMBL19683696 0.90 FLT3 (0.59) BRAFRETFLT3RAF1NTRK1
SCHEMBL20878925 0.90 RET (0.50) BRAFRETFLT3RAF1NTRK1
SCHEMBL19683715 0.89 RAF1 (0.59) BRAFRETFLT3RAF1NTRK1
SCHEMBL20878884 0.89 FLT3 (0.60) BRAFRETFLT3RAF1NTRK1
SCHEMBL20878949 0.88 RET (0.51) BRAFRETFLT3RAF1NTRK1
SCHEMBL20878886 0.86 RAF1 (0.64) BRAFFLT3RAF1MAPK13MAPK12
SCHEMBL19683603 0.85 FLT3 (0.62) BRAFRETFLT3RAF1NTRK1
SCHEMBL23047344 0.84 RET (0.53) BRAFRETFLT3RAF1NTRK1
SCHEMBL19683754 0.83 RET (0.52) BRAFRETFLT3RAF1NTRK1

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