SCHEMBL19983166

SCHEMBL19983166

CC1(C)c2ccc(Nc3nc4c(N5CCC(S(N)(=O)=O)CC5)nccn4n3)cc2NC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.40
▸ JAK2 O60674 15/20 0.36
▸ JAK3 P52333 7/20 0.36
▸ JAK1 P23458 11/20 0.34
▸ PTK2 Q05397 6/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK3 Q00526 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33

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
SCHEMBL16394844 0.86 SYK (0.45) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19982833 0.84 SYK (0.42) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19982840 0.83 SYK (0.40) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19982766 0.82 SYK (0.37) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19983154 0.82 SYK (0.42) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL16394366 0.81 SYK (0.48) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19982813 0.80 SYK (0.43) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19982784 0.79 SYK (0.39) SYKEIF2AK4JAK2JAK1
SCHEMBL15210519 0.77 SYK (0.45) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL19982960 0.76 SYK (0.36) SYKEIF2AK4JAK2JAK3JAK1

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
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
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