SCHEMBL5657748

SCHEMBL5657748

O=C(O)CCSc1ncc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.65
CXCR1 P25024 5/20 0.65
P4HTM Q9NXG6 2/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL5659975 0.87 CXCR2 (0.73) CXCR2CXCR1P4HTMNPC1RAB9A
SCHEMBL5660669 0.86 CXCR2 (0.76) CXCR2CXCR1P4HTMNPC1RAB9A
SCHEMBL5845348 0.85 CXCR2 (0.89) CXCR2CXCR1
SCHEMBL5846781 0.79 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5656674 0.79 CXCR2 (0.74) CXCR2CXCR1P4HTMNPC1RAB9A
SCHEMBL14587553 0.78 P4HTM (0.57) CXCR2CXCR1P4HTMNPC1RAB9A
SCHEMBL5658799 0.78 CXCR2 (0.60) CXCR2CXCR1P4HTMNPC1RAB9A
SCHEMBL5656328 0.75 P4HTM (0.57) CXCR2CXCR1P4HTMNPC1RAB9A
SCHEMBL5845286 0.74 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL13197192 0.73 CXCR2 (0.77) CXCR2CXCR1

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
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed