SCHEMBL4783684

SCHEMBL4783684

Cc1ncc(Nc2cc(C#N)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)NCC2CCCO2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
USP30 Q70CQ3 1/20 0.39
FASN P49327 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
ATM Q13315 2/20 0.37
GLS O94925 1/20 0.37
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
BRAF P15056 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IDE P14735 1/20 0.36
NAMPT P43490 3/20 0.36
ROCK2 O75116 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL4783689 0.91 ACKR3 (0.39) ACKR3USP30FASNEGLN1HPGD
SCHEMBL4779984 0.90 ACKR3 (0.41) ACKR3ATMGLSHPGDNPC1
SCHEMBL4781496 0.88 ACKR3 (0.40) ACKR3ATMGLSHPGDNPC1
SCHEMBL4781558 0.87 GLS (0.41) ACKR3FASNEGLN1ATMGLS
SCHEMBL4783075 0.82 PLAU (0.42) ACKR3BRAF
SCHEMBL4780823 0.82 ACKR3 (0.39) ACKR3ATMGLSHPGDALDH1A1
SCHEMBL4781500 0.81 PLAU (0.41) ACKR3BRAF
SCHEMBL4778219 0.80 NAPEPLD (0.40) ACKR3BRAF
SCHEMBL4780831 0.80 TNK2 (0.39) ACKR3GLSALDH1A1BRAFKDM4E
SCHEMBL4782957 0.80 BRAF (0.42) ACKR3FASNEGLN1GLSHPGD

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed