SCHEMBL27987771

SCHEMBL27987771

Cc1ccccc1Nc1cncc(N[C@@H]2CCNC2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 6/20 0.47
▸ BRD4 O60885 4/20 0.44
▸ ATAD2 Q6PL18 4/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ PRKCZ Q05513 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KHK P50053 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PIM1 P11309 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38

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
SCHEMBL27987404 0.80 AXL (0.43) BRD4ATAD2IRAK4MAP4K1CLK2
SCHEMBL27987403 0.80 AXL (0.43) BRD4ATAD2IRAK4MAP4K1CLK2
SCHEMBL27322594 0.78 BRD4 (0.56) PRKCIBRD4ATAD2PRKCZMEN1
SCHEMBL28135186 0.78 CCNT1 (0.46) PRKCIIRAK4PIM1PIM2
SCHEMBL28135187 0.78 CCNT1 (0.46) PRKCIIRAK4PIM1PIM2
SCHEMBL15219256 0.77 CLK2 (0.44) PRKCIBRD4ATAD2IRAK4MAP4K1
SCHEMBL13354595 0.77 HRH3 (0.42) PRKCIBRD4ATAD2IRAK4MAP4K1
SCHEMBL28814767 0.77 PRKCI (0.47) PRKCIIRAK4MAP4K1PRKCZCYP1A2
SCHEMBL28814769 0.77 PRKCI (0.47) PRKCIIRAK4MAP4K1PRKCZCYP1A2
SCHEMBL28134516 0.74 PRKCI (0.47) PRKCIPRKCZ

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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