SCHEMBL14985275

SCHEMBL14985275

CN[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cnc3cccnc3c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.57
▸ CHEK2 O96017 3/20 0.57
▸ CDC7 O00311 1/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ PDPK1 O15530 1/20 0.57
▸ DAPK3 O43293 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ RPS6KA5 O75582 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ PRKCG P05129 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ CSF1R P07333 1/20 0.57

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
SCHEMBL14955736 0.91 LRRK2 (0.67) LRRK2CHEK2CDC7PLK4CHEK1
SCHEMBL18925760 0.87 SYK (0.54) LRRK2CHEK2CDC7PLK4CHEK1
SCHEMBL18925761 0.80 SYK (0.49) FERMAPK1SYKKCNH2
SCHEMBL14956590 0.80 LRRK2 (0.70) LRRK2CHEK2CDC7PLK4CHEK1
SCHEMBL20613169 0.78 SYK (0.43) LRRK2CHEK2CDC7PLK4CHEK1
SCHEMBL2728957 0.78 SYK (0.64) LRRK2JAK2ROCK2MAP4K4HCK
SCHEMBL14955764 0.78 LRRK2 (0.67) LRRK2CHEK2CDC7PLK4CHEK1
SCHEMBL14985278 0.78 PIK3CA (0.41) LRRK2CHEK2CDC7PLK4CHEK1
SCHEMBL14839231 0.78 SYK (0.76) SYKKCNH2
SCHEMBL14985256 0.77 BTK (0.54) LRRK2CHEK2CDC7PLK4CHEK1

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
WO-2013078466-A1 PYRAZINE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
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