SCHEMBL19683616

SCHEMBL19683616

N=C(c1ccc([S+](N)[O-])cc1)c1c(N)ncnc1Nc1ccc(NC=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 6/20 0.43
CARM1 Q86X55 1/20 0.36
LIMK1 P53667 2/20 0.32
EGFR P00533 3/20 0.32
ERBB2 P04626 3/20 0.32
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
F7 P08709 1/20 0.31
TTBK1 Q5TCY1 2/20 0.31
TTBK2 Q6IQ55 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL19683621 0.91 PRMT1 (0.44) PRMT1CARM1LIMK1EGFRERBB2
SCHEMBL20878954 0.86 PRMT1 (0.38) PRMT1CARM1LIMK1EGFRERBB2
SCHEMBL23047341 0.85 PRMT1 (0.42) PRMT1CARM1LIMK1EGFRERBB2
SCHEMBL23047328 0.82 EGFR (0.44) PRMT1CARM1EGFRTTBK1TTBK2
SCHEMBL20878857 0.82 PRMT1 (0.41) PRMT1CARM1LIMK1EGFRERBB2
SCHEMBL23047342 0.82 PRMT1 (0.41) PRMT1CARM1EGFRERBB2TTBK1
SCHEMBL23047326 0.79 PRMT1 (0.39) PRMT1CARM1LIMK1EGFRERBB2
SCHEMBL20878934 0.77 PRMT1 (0.37) PRMT1CARM1LIMK1EGFRERBB2
SCHEMBL20878945 0.77 EIF2AK2 (0.42) LIMK1ERBB2
SCHEMBL19683752 0.77 PLK4 (0.38) PRMT1TTBK1TTBK2MKNK1

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