SCHEMBL2706194

SCHEMBL2706194

CN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
F5 P12259 1/20 0.39
CCR1 P32246 1/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GRIN2B Q13224 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 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
SCHEMBL13696696 1.00 PTK2 (0.39) PTK2F10F2F5CCR1
SCHEMBL209207 1.00 PTK2 (0.39) PTK2F10F2F5CCR1
SCHEMBL208895 0.86 F10 (0.43) PTK2F10F2F5CCR1
SCHEMBL5437564 0.84 L3MBTL1 (0.46) PTK2F10F2F5CCR1
SCHEMBL4268193 0.84 SMN1; SMN2 (0.45) PTK2F10F2F5CCR1
SCHEMBL4268198 0.84 SMN1; SMN2 (0.45) PTK2F10F2F5CCR1
SCHEMBL209285 0.82 F10 (0.39) PTK2F10F2F5CCR1
SCHEMBL210778 0.82 IDO1 (0.42) PTK2F10F2F5CCR1
SCHEMBL207616 0.82 PTK2 (0.40) PTK2FPR1FPR2L3MBTL1SMN1; SMN2
SCHEMBL207795 0.81 NPC1 (0.39) PTK2F10F2F5CCR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed