SCHEMBL27965089

SCHEMBL27965089

NC(=O)c1c(C2CCNCC2)ccnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.42
▸ CDC7 O00311 1/20 0.40
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ PLAT P00750 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ RET P07949 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ HTR2C P28335 1/20 0.35

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
SCHEMBL2244757 0.78 TLR9 (0.43) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30769910 0.78 TLR9 (0.43) HTR6HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27035336 0.76 HTR2C (0.42) HTR6HTR1ASLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL27035428 0.75 HRH4 (0.41) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL28131823 0.73 HTR6 (0.38) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9206473 0.73 CNR1 (0.36) RET
SCHEMBL19581178 0.73 HTR2C (0.46) HTR2C
SCHEMBL16879006 0.73 RET (0.36) RET
SCHEMBL8562692 0.72 HTT (0.40) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16836549 0.72 BTK (0.41) PARP1IKBKBCHUKHTR6ROCK1

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
CN-103827089-A Novel compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARM 2014-05-28 — — CN claimed
CN-103827089-A Novel compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARM 2014-05-28 — — CN disclosed
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