SCHEMBL18708695

SCHEMBL18708695

CC[C@H](NI)Nc1nc(N)ncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CHUK O15111 1/20 0.35
▸ EGFR P00533 2/20 0.33
▸ PRKDC P78527 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ P2RX3 P56373 1/20 0.32

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
SCHEMBL218369 0.83 ADORA2A (0.41) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL250961 0.82 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL217591 0.82 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL251804 0.82 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL21389720 0.80 PIK3CD (0.40) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL179438 0.78 PIK3CD (0.38) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL179466 0.78 PIK3CD (0.38) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL179430 0.78 PIK3CD (0.38) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL15354452 0.78 LRRK2 (0.47) PIK3CDPIK3R1ADORA2AADORA1CHUK
SCHEMBL12692538 0.77 PIK3CD (0.37) PIK3CDPIK3R1ADORA2AADORA1CHUK

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
EP-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 — — EP disclosed
Send feedback