SCHEMBL23764113

SCHEMBL23764113

OC(Nc1ccc(F)cc1)c1nc2cccc(-c3cc(C(F)(F)F)ccc3Cl)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 2/20 0.39
▸ JAK2 O60674 8/20 0.39
▸ JAK3 P52333 5/20 0.39
▸ PTK2 Q05397 5/20 0.39
▸ APP P05067 1/20 0.38
▸ CTSC P53634 1/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ DYRK1A Q13627 2/20 0.33
▸ DYRK2 Q92630 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ DYRK1B Q9Y463 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
SCHEMBL23764045 0.80 IL2 (0.52) IL2JAK2NPY5RJAK1BRAF
SCHEMBL23764044 0.78 EGLN2 (0.44) JAK2JAK3NUDT1JAK1
SCHEMBL2635059 0.64 JAK2 (0.56) JAK2JAK3PTK2PDE2ADYRK1A
SCHEMBL2634386 0.62 JAK2 (0.56) JAK2JAK3PTK2DYRK1ADYRK2
SCHEMBL2640360 0.60 JAK2 (0.56) JAK2JAK3PTK2NUDT1PDE2A
SCHEMBL2634343 0.60 JAK2 (0.56) JAK2JAK3PTK2PDE2ADYRK1A
SCHEMBL19785385 0.59 PDE2A (0.47) IL2PDE2A
SCHEMBL15862452 0.59 IL2 (0.58) IL2NPY5RTP53
SCHEMBL22888249 0.58 PDE10A (0.39) NUDT1TP53
SCHEMBL13465854 0.57 JAK2 (0.60) JAK2JAK3PTK2DYRK1ADYRK2

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-2021161084-A1 N-(4-FLUOROPHENYL)-5-PHENYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR SYNTHESIS THEREOF NINGEGOWDA RAGHU (IN) 2021-08-19 — — WO disclosed
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