SCHEMBL28814767

SCHEMBL28814767

c1cncc(Nc2cncc(N[C@@H]3CCNC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.47
▸ IDH2 P48735 1/20 0.44
▸ PRKCZ Q05513 1/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ NRAS P01111 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ KDM1A O60341 1/20 0.39

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
SCHEMBL28814769 1.00 PRKCI (0.47) PRKCIIDH2PRKCZADRA2AADRA2B
SCHEMBL7098800 0.82 CHRNB2 (0.48) PRKCIIDH2PRKCZADRA2AADRA2B
SCHEMBL23013465 0.82 CHRNB2 (0.48) PRKCIIDH2PRKCZADRA2AADRA2B
SCHEMBL23012617 0.82 CHRNB2 (0.48) PRKCIIDH2PRKCZADRA2AADRA2B
Hydrochloric Acid SCHEMBL23012717 0.81 CHRNB2 (0.47) PRKCIIDH2PRKCZADRA2AADRA2B
SCHEMBL27987404 0.81 AXL (0.43) IRAK4MAP4K1
SCHEMBL27987403 0.81 AXL (0.43) IRAK4MAP4K1
SCHEMBL14955637 0.78 SYK (0.49) PRKCIROCK1IRAK4LCKRET
SCHEMBL14955641 0.78 SYK (0.49) PRKCIROCK1IRAK4LCKRET
SCHEMBL27987771 0.77 PRKCI (0.47) PRKCIPRKCZIRAK4MAP4K1CYP1A2

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
CN-104066431-B Pyrazine kinase inhibitors 波托拉医药品公司 2017-03-08 — — CN disclosed
CN-104066431-A Pyrazine kinase inhibitors PORTOLA PHARM INC 2014-09-24 — — CN disclosed
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