SCHEMBL19683604

SCHEMBL19683604

CC(C)(C)c1ccc(NC(=O)Nc2ccc(Nc3ncnc(N)c3C(=N)c3ccc(OCCN4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.49
FLT3 P36888 3/20 0.49
CSF1R P07333 2/20 0.49
RET P07949 2/20 0.49
PDGFRB P09619 2/20 0.49
KIT P10721 2/20 0.49
DDR1 Q08345 2/20 0.49
LCK P06239 1/20 0.49
PDGFRA P16234 1/20 0.49
CDK11B P21127 1/20 0.49
CCNC P24863 1/20 0.49
FLT4 P35916 1/20 0.49
CDK8 P49336 1/20 0.49
BTK Q06187 1/20 0.49
DDR2 Q16832 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAPK14 Q16539 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK12 P53778 1/20 0.48

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
SCHEMBL19683821 0.87 BRAF (0.56) EPHX2FLT3CSF1RRETPDGFRB
SCHEMBL23047300 0.86 ERBB2 (0.47) SMN1; SMN2EGFRERBB2GAA
SCHEMBL19683692 0.86 ERBB2 (0.45) SMN1; SMN2KDREGFRERBB2GAA
SCHEMBL19683782 0.84 EGFR (0.45) SMN1; SMN2AURKAAURKBEGFRERBB2
SCHEMBL20878850 0.83 RET (0.55) FLT3CSF1RRETPDGFRBKIT
SCHEMBL19683818 0.82 RET (0.58) FLT3CSF1RRETPDGFRBKIT
SCHEMBL19683600 0.82 RET (0.58) FLT3CSF1RRETPDGFRBKIT
SCHEMBL20878929 0.81 RET (0.53) FLT3CSF1RRETPDGFRBKIT
SCHEMBL19683608 0.81 EGFR (0.40) FLT3SMN1; SMN2MAPTAURKAAURKB
SCHEMBL19683824 0.80 SRC (0.47) RETLCKPDGFRABTKMAPT

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