SCHEMBL5656328

SCHEMBL5656328

O=C(O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.57
CXCR2 P25025 13/20 0.56
CXCR1 P25024 11/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MITF O75030 1/20 0.51
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL5658349 0.86 CXCR2 (0.73) P4HTMCXCR2CXCR1NPC1RAB9A
SCHEMBL5661096 0.84 CXCR2 (0.67) P4HTMCXCR2CXCR1NPC1RAB9A
SCHEMBL5656795 0.84 CXCR2 (0.76) P4HTMCXCR2CXCR1NPC1RAB9A
SCHEMBL5846254 0.84 CXCR2 (0.78) P4HTMCXCR2CXCR1
SCHEMBL5659069 0.83 CXCR2 (0.59) P4HTMCXCR2CXCR1NPC1RAB9A
SCHEMBL5656391 0.83 CXCR1 (0.75) P4HTMCXCR2CXCR1ALDH1A1
SCHEMBL5659634 0.82 CXCR1 (0.58) P4HTMCXCR2CXCR1NPC1RAB9A
SCHEMBL5660485 0.82 CXCR2 (0.77) CXCR2CXCR1NPC1RAB9A
SCHEMBL5658045 0.80 CXCR2 (0.59) P4HTMCXCR2CXCR1NPC1RAB9A
SCHEMBL5660642 0.80 CXCR2 (0.75) P4HTMCXCR2CXCR1

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