SCHEMBL19683815

SCHEMBL19683815

CC(C)(C)/C(=C/CNc1ccc(-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc32)cc1)ON

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 4/20 0.64
▸ FLT3 P36888 4/20 0.64
▸ BTK Q06187 3/20 0.64
▸ CSF1R P07333 1/20 0.64
▸ RET P07949 1/20 0.64
▸ PDGFRB P09619 1/20 0.64
▸ KIT P10721 1/20 0.64
▸ PDGFRA P16234 1/20 0.64
▸ CDK11B P21127 1/20 0.64
▸ CCNC P24863 1/20 0.64
▸ FLT4 P35916 1/20 0.64
▸ CDK8 P49336 1/20 0.64
▸ DDR1 Q08345 1/20 0.64
▸ DDR2 Q16832 1/20 0.64
▸ MKNK2 Q9HBH9 1/20 0.64
▸ METTL3 Q86U44 1/20 0.43
▸ MAPK13 O15264 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42

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
SCHEMBL19683819 0.82 FLT3 (0.81) LCKFLT3BTKCSF1RRET
SCHEMBL23047323 0.81 BTK (0.65) LCKFLT3BTKCSF1RRET
SCHEMBL19683613 0.81 BTK (0.63) LCKFLT3BTKCSF1RRET
SCHEMBL23047312 0.79 ATR (0.45) LCKFLT3BTKCSF1RRET
SCHEMBL19683590 0.79 FLT3 (0.72) LCKFLT3BTKCSF1RRET
SCHEMBL19683612 0.78 RET (1.00) LCKFLT3BTKCSF1RRET
SCHEMBL19683779 0.78 FLT3 (0.77) LCKFLT3BTKCSF1RRET
SCHEMBL19683689 0.78 FLT3 (0.74) LCKFLT3BTKCSF1RRET
SCHEMBL20873189 0.78 FLT3 (0.70) LCKFLT3BTKCSF1RRET
SCHEMBL19683609 0.78 LCK (0.60) LCKFLT3BTKCSF1RRET

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
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