SCHEMBL19683791

SCHEMBL19683791

CC(C)CCOc1ccc(C(=N)c2c(N)ncnc2Nc2ccc(NC=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
PRMT1 Q99873 3/20 0.37
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
JAK2 O60674 1/20 0.34
SYK P43405 1/20 0.34
BTK Q06187 1/20 0.33
TP53 P04637 1/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
CARM1 Q86X55 1/20 0.33

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
SCHEMBL19683694 0.82 JAK2 (0.46) JAK2SYKERBB2
SCHEMBL23047326 0.81 PRMT1 (0.39) PRMT1EGFRERBB2CARM1TTBK1
SCHEMBL19683782 0.81 EGFR (0.45) ALDH1A1JAK2SYKEGFRERBB2
SCHEMBL20878954 0.81 PRMT1 (0.38) PRMT1EGFRERBB2CARM1TTBK1
SCHEMBL20878968 0.80 SRC (0.44) EPHX2BTKEGFRERBB2
SCHEMBL23047341 0.80 PRMT1 (0.42) PRMT1ALDH1A1BTKEGFRERBB2
SCHEMBL23047342 0.79 PRMT1 (0.41) PRMT1MEN1KMT2AJAK2SYK
SCHEMBL20878857 0.79 PRMT1 (0.41) PRMT1EGFRERBB2CARM1TTBK1
SCHEMBL23047328 0.79 EGFR (0.44) TDP1MAPK1PRMT1ALDH1A1TSHR
SCHEMBL24671954 0.79 SRC (0.40) PRMT1BTKCARM1HTT

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