SCHEMBL13846245

SCHEMBL13846245

NCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(N)c3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.53
▸ BCR P11274 4/20 0.53
▸ SRC P12931 3/20 0.53
▸ EGFR P00533 1/20 0.53
▸ PRKACA P17612 1/20 0.53
▸ PRKACG P22612 1/20 0.53
▸ PRKACB P22694 1/20 0.53
▸ CDK5 Q00535 2/20 0.48
▸ CAMK2D Q13557 3/20 0.47
▸ PLK1 P53350 1/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41

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
SCHEMBL3301729 0.90 JAK2 (0.54) ABL1BCRSRCEGFRPRKACA
SCHEMBL13846259 0.81 SYK (0.45) ABL1BCRSRCEGFRCDK2
SCHEMBL13846251 0.81 STK17A (0.46) ABL1BCRSRCEGFRCAMK2D
SCHEMBL13846277 0.80 JAK2 (0.43) ABL1BCRSRCEGFRPRKACA
SCHEMBL2358226 0.79 CCNE1 (0.57) ABL1PRKACACAMK2DPLK1CDK2
SCHEMBL2363861 0.79 ABL1 (0.49) ABL1BCRSRCEGFRPRKACA
SCHEMBL2356289 0.79 JAK2 (0.58) ABL1EGFRPRKACACAMK2DPLK1
SCHEMBL2356563 0.78 JAK2 (0.55) ABL1BCRSRCPRKACACAMK2D
SCHEMBL17451314 0.78 ABL1 (0.53) ABL1BCRSRCPRKACACAMK2D
SCHEMBL2357620 0.78 ABL1 (0.52) ABL1BCRSRCPRKACACAMK2D

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-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — WO disclosed
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