SCHEMBL19683608

SCHEMBL19683608

C/C(=C/CNc1ccc(Nc2ncnc(N)c2C(=N)c2ccc(OCCN3CCOCC3)cc2)cc1)ON

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.40
ERBB2 P04626 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
FLT3 P36888 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ILK Q13418 1/20 0.38
SRC P12931 2/20 0.38
SYK P43405 1/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
METTL3 Q86U44 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL23047300 0.86 ERBB2 (0.47) EGFRERBB2ALDH1A1KDM4EABL1
SCHEMBL19683692 0.86 ERBB2 (0.45) EGFRERBB2ALDH1A1KDM4EABL1
SCHEMBL19683782 0.84 EGFR (0.45) EGFRERBB2ALDH1A1KDM4EABL1
SCHEMBL20878851 0.83 EGFR (0.36) EGFRFLT3SRCSYKAURKA
SCHEMBL19683611 0.81 EGFR (0.45) EGFRERBB2ALDH1A1KDM4EABL1
SCHEMBL19683604 0.81 EPHX2 (0.49) EGFRERBB2FLT3SMN1; SMN2GAA
SCHEMBL19683824 0.80 SRC (0.47) EGFRERBB2ALDH1A1ABL1BCR
SCHEMBL20878942 0.80 EGFR (0.45) EGFRERBB2ALDH1A1KDM4EFLT3
SCHEMBL20878968 0.80 SRC (0.44) EGFRERBB2FLT3SRCAURKA
SCHEMBL19683816 0.79 EGFR (0.42) EGFRERBB2ALDH1A1KDM4EFLT3

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