SCHEMBL14985225

SCHEMBL14985225

C[C@H](N)[C@@H](C)Nc1cnc(C(N)=O)c(Nc2cc(N3CCOCC3)cc(-n3nccn3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 9/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ JAK3 P52333 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ LRRK2 Q5S007 3/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ EML4 Q9HC35 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ RET P07949 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ ULK1 O75385 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 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
SCHEMBL14956498 0.80 SYK (0.71) SYKKCNH2JAK3LCKLRRK2
SCHEMBL30206568 0.73 EML4 (0.53) SYKJAK3LCKEML4ALK
SCHEMBL14956373 0.71 SYK (0.61) SYKKCNH2
SCHEMBL14956375 0.71 SYK (0.61) SYKKCNH2
SCHEMBL14955333 0.70 SYK (0.61) SYKKCNH2JAK3LCKLRRK2
SCHEMBL14955581 0.70 SYK (0.83) SYKKCNH2JAK3LCKLRRK2
SCHEMBL14956546 0.69 SYK (0.70) SYKKCNH2
SCHEMBL14956548 0.69 SYK (0.70) SYKKCNH2
SCHEMBL14975962 0.69 SYK (0.49) SYKJAK3CDK2
SCHEMBL14976339 0.68 RPS6KB1 (0.46) SYKKCNH2JAK3LCKLRRK2

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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