SCHEMBL28134516

SCHEMBL28134516

c1cnc2scc(Nc3cncc(N[C@@H]4CCNC4)n3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 17/20 0.47
▸ PRKCZ Q05513 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL27987421 0.81 PRKCI (0.42) PRKCI
SCHEMBL14955767 0.81 SYK (0.44) PRKCICDK2
SCHEMBL14955769 0.81 SYK (0.44) PRKCICDK2
SCHEMBL28814769 0.74 PRKCI (0.47) PRKCIPRKCZ
SCHEMBL28814767 0.74 PRKCI (0.47) PRKCIPRKCZ
SCHEMBL27987771 0.74 PRKCI (0.47) PRKCIPRKCZ
SCHEMBL28135187 0.69 CCNT1 (0.46) PRKCICCNT1CCNKCCNE1CDK2
SCHEMBL28135186 0.69 CCNT1 (0.46) PRKCICCNT1CCNKCCNE1CDK2
SCHEMBL27987404 0.69 AXL (0.43) —
SCHEMBL27987403 0.69 AXL (0.43) —

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
CN-104066431-B Pyrazine kinase inhibitors 波托拉医药品公司 2017-03-08 — — CN disclosed
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