SCHEMBL5660669

SCHEMBL5660669

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

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.76
CXCR1 P25024 9/20 0.76
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.48
P4HTM Q9NXG6 1/20 0.47

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
SCHEMBL5656674 0.88 CXCR2 (0.74) CXCR2CXCR1NPC1RAB9AATM
SCHEMBL5657748 0.86 CXCR2 (0.65) CXCR2CXCR1MEN1KMT2ANPC1
SCHEMBL5846226 0.86 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5659975 0.79 CXCR2 (0.73) CXCR2CXCR1NPC1RAB9AP4HTM
SCHEMBL14587553 0.78 P4HTM (0.57) CXCR2CXCR1MEN1KMT2ANPC1
SCHEMBL5658349 0.78 CXCR2 (0.73) CXCR2CXCR1NPC1RAB9AATM
SCHEMBL5846271 0.76 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5659675 0.74 SMN1; SMN2 (0.54) CXCR2CXCR1MEN1KMT2ANPC1
SCHEMBL5846277 0.73 CXCR1 (1.00) CXCR2CXCR1NPC1RAB9AATM
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