SCHEMBL6969752

SCHEMBL6969752

[CH2]Sc1nncn1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.34
PI4K2B Q8TCG2 3/20 0.34
PI4K2A Q9BTU6 3/20 0.34
PI4KB Q9UBF8 3/20 0.34
ADORA2A P29274 2/20 0.34
POLB P06746 1/20 0.34
CNOT7 Q9UIV1 1/20 0.33
HCAR1 Q9BXC0 4/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
PRKCA P17252 1/20 0.30
JAK1 P23458 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL12949685 0.77 VCP (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22474028 0.72 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL8179609 0.72 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6970733 0.72 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22474026 0.69 MEN1 (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL32680234 0.69 ADORA2A (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
Hexazole SCHEMBL2111420 0.68 ALDH1A1 (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22735080 0.68 PI4KA (0.34) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23638593 0.66 ALDH1A1 (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21783961 0.66 CCNT1 (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed