SCHEMBL4782925

SCHEMBL4782925

CCN1CCCC1CNC(=O)c1cn(-c2cc(Nc3cc(C#N)cc(C(C)(C)C)c3)cnc2C)nn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.51
RAB9A P51151 1/20 0.38
USP30 Q70CQ3 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
DRD2 P14416 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL4781558 0.84 GLS (0.41) ACKR3RAB9AALDH1A1HPGD
SCHEMBL4779207 0.83 NR1I2 (0.38) ACKR3USP30
SCHEMBL4782188 0.83 MEN1 (0.42) ACKR3DRD2ALDH1A1
SCHEMBL4781607 0.82 ACKR3 (0.41) ACKR3RAB9A
SCHEMBL4783774 0.81 NR1I2 (0.36) USP30
SCHEMBL4780817 0.81 NR1I2 (0.36) USP30
SCHEMBL4780027 0.81 NR1I2 (0.36) ACKR3USP30
SCHEMBL4779570 0.80 SSTR4 (0.40) ACKR3
SCHEMBL4782033 0.80 NR1I2 (0.35) USP30
SCHEMBL4780707 0.80 NR1I2 (0.36) ACKR3

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