SCHEMBL5481178

SCHEMBL5481178

CCCCCc1nc2c(N)ncnc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.67
PI4K2B Q8TCG2 2/20 0.67
PI4K2A Q9BTU6 2/20 0.67
PI4KB Q9UBF8 2/20 0.67
KDR P35968 5/20 0.41
GPR84 Q9NQS5 4/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL27741346 0.98 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBKDR
SCHEMBL16487356 0.98 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBKDR
SCHEMBL9668597 0.95 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBKDR
SCHEMBL19686245 0.89 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBKDR
SCHEMBL7211994 0.86 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6029471 0.84 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL27761904 0.82 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL5066797 0.82 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6683145 0.80 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4551802 0.80 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070059740-A1 METHOD OF TARGETING A2B ADENOSINE RECEPTOR ANTAGONIST THERAPY UNIVERSITY OF VIRGINIA 2007-03-15 US claimed
US-20070059740-A1 METHOD OF TARGETING A2B ADENOSINE RECEPTOR ANTAGONIST THERAPY UNIVERSITY OF VIRGINIA 2007-03-15 US disclosed