SCHEMBL27583281

SCHEMBL27583281

O=C(CF)Oc1c[nH]c2ncccc12.[KH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.49
GPR84 Q9NQS5 1/20 0.45
ADORA2A P29274 1/20 0.44
MTNR1A P48039 1/20 0.44
KMT2A Q03164 1/20 0.43
CAMKK2 Q96RR4 2/20 0.43
AXL P30530 1/20 0.43
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
MET P08581 2/20 0.40
LRRK2 Q5S007 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
NTRK1 P04629 1/20 0.39
BRD4 O60885 1/20 0.39
CNR2 P34972 1/20 0.38
CDC7 O00311 2/20 0.38
CDK2 P24941 2/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL30684499 0.84 MAP2K1 (0.54) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL1558087 0.81 MAP2K1 (0.55) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL30713632 0.80 MAP2K1 (0.49) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL2511843 0.80 SLC22A6 (0.58) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL6225557 0.80 MAP2K1 (0.54) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL27583267 0.78 LMNA (0.37) KMT2AITGB2ICAM1ITGALGRM4
SCHEMBL1558071 0.77 MAP2K1 (0.51) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL30563475 0.76 MAP2K1 (0.54) MAP2K1ADORA2AKMT2ACAMKK2AXL
SCHEMBL38663434 0.76 MAP2K1 (0.50) MAP2K1GPR84ADORA2AMTNR1AKMT2A
SCHEMBL27563140 0.75 DYRK1A (0.41) GPR84CDK2GSK3B

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
CN-1404392-A Antiviral azaindole derivatives BRISTOL MYERS SQUIBB CO (US) 2003-03-19 CN disclosed