SCHEMBL4409891

SCHEMBL4409891

Cc1nc(N)c2cnn(C)c2n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE2A O00408 9/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
NSD2 O96028 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL130702 0.82 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL24659480 0.81 CYP1A2 (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10307718 0.80 PDE2A (0.43) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL22787642 0.79 ADORA2A (0.38) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL128577 0.79 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL130798 0.79 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL130521 0.79 PDE2A (0.60) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL29685062 0.79 PDE2A (0.60) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL19117462 0.78 PDE2A (0.42) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL31391465 0.78 PDE2A (0.42) PI4KAPI4K2BPI4K2API4KBPDE2A

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-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed