SCHEMBL19683752

SCHEMBL19683752

N=C(c1ccc(N2CCNCC2)cc1)c1c(N)ncnc1Nc1ccc(NC=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.38
SYK P43405 3/20 0.37
PRMT1 Q99873 2/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
SRC P12931 1/20 0.36
SUV39H1 O43463 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
STAT6 P42226 1/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
KDM1A O60341 1/20 0.35
STK17A Q9UEE5 2/20 0.35
STK17B O94768 1/20 0.35
MKNK2 Q9HBH9 4/20 0.35
MKNK1 Q9BUB5 3/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20878945 0.89 EIF2AK2 (0.42) SYKCDK4
SCHEMBL20878981 0.87 PLK4 (0.39) PLK4SYKPRMT1TTBK1TTBK2
SCHEMBL23047341 0.81 PRMT1 (0.42) PRMT1TTBK1TTBK2ALDH1A1
SCHEMBL20878943 0.80 HPGD (0.44) PLK4SYK
SCHEMBL19683825 0.79 NPC1 (0.44) PLK4SYKALDH1A1TSHR
SCHEMBL19683745 0.79 ALDH1A1 (0.41) TTBK1TTBK2ALDH1A1HSD17B10
SCHEMBL20878933 0.79 TYK2 (0.41) PRMT1
SCHEMBL23047328 0.78 EGFR (0.44) PRMT1TTBK1TTBK2KDM1AUSP2
SCHEMBL23047342 0.78 PRMT1 (0.41) SYKPRMT1TTBK1TTBK2MKNK2
SCHEMBL20878857 0.78 PRMT1 (0.41) PRMT1TTBK1TTBK2

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