SCHEMBL19683701

SCHEMBL19683701

CC(C)(C)c1cc(Nc2ccc(Nc3ncnc(N)c3C(=N)c3ccc(OCN4CCOCC4)cc3)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.44
RET P07949 8/20 0.44
CSF1R P07333 2/20 0.44
PDGFRB P09619 2/20 0.44
KIT P10721 2/20 0.44
DDR1 Q08345 2/20 0.44
LCK P06239 1/20 0.44
PDGFRA P16234 1/20 0.44
CDK11B P21127 1/20 0.44
CCNC P24863 1/20 0.44
FLT4 P35916 1/20 0.44
CDK8 P49336 1/20 0.44
BTK Q06187 1/20 0.44
DDR2 Q16832 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KDR P35968 2/20 0.41
AURKA O14965 1/20 0.41
EGFR P00533 1/20 0.39
BRAF P15056 5/20 0.38
ERBB2 P04626 1/20 0.37

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
SCHEMBL20878979 0.85 ERBB2 (0.40) KDREGFRERBB2
SCHEMBL23047345 0.85 RET (0.46) FLT3RETCSF1RPDGFRBKIT
SCHEMBL20878909 0.84 RET (0.45) FLT3RETCSF1RPDGFRBKIT
SCHEMBL19683628 0.83 BRAF (0.43) FLT3RETCSF1RKITLCK
SCHEMBL19683648 0.83 LCK (0.45) FLT3RETCSF1RPDGFRBKIT
SCHEMBL23047347 0.82 RAF1 (0.48) FLT3RETBTKEGFRBRAF
SCHEMBL20878996 0.81 RET (0.41) FLT3RETCSF1RPDGFRBKIT
SCHEMBL19683644 0.81 FLT3 (0.41) FLT3RETCSF1RPDGFRBKIT
SCHEMBL19683602 0.81 FLT3 (0.55) FLT3RETCSF1RPDGFRBKIT
SCHEMBL19683697 0.81 RET (0.44) FLT3RETCSF1RPDGFRBKIT

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