SCHEMBL20725866

SCHEMBL20725866

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ CHUK O15111 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL15354452 0.89 LRRK2 (0.47) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL21389693 0.86 PIK3CD (0.43) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL21389719 0.86 PIK3CD (0.43) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL179452 0.83 PLK1 (0.42) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL250961 0.83 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL251804 0.83 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL179509 0.83 PLK1 (0.42) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL179462 0.83 PLK1 (0.42) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL217591 0.83 PIK3CD (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2
SCHEMBL218369 0.81 ADORA2A (0.41) PIK3CDPIK3R1ADORA2AADORA1LRRK2

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-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 — — EP disclosed
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