SCHEMBL23753737

SCHEMBL23753737

O=C(Nc1ccc(F)cc1)c1nc2cccc(-c3ccccc3)n2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.53
▸ JAK2 O60674 4/20 0.51
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NUDT1 P36639 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TYK2 P29597 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL23754392 0.91 JAK2 (0.51) JAK1JAK2TP53SMN1; SMN2NPC1
SCHEMBL23764040 0.87 JAK1 (0.48) JAK1JAK2TP53SMN1; SMN2NPC1
SCHEMBL23754207 0.86 JAK1 (0.51) JAK1JAK2TP53SMN1; SMN2NPC1
SCHEMBL23754203 0.85 JAK2 (0.47) JAK1JAK2TP53SMN1; SMN2MAPT
SCHEMBL23754239 0.82 SMN1; SMN2 (0.46) JAK1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL23764043 0.80 JAK1 (0.42) JAK1JAK2TP53SMN1; SMN2LMNA
SCHEMBL23754210 0.80 MAPT (0.46) JAK1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL23764045 0.76 IL2 (0.52) JAK1JAK2TP53SMN1; SMN2TYK2
SCHEMBL2730240 0.74 NUDT1 (0.62) JAK1JAK2NUDT1MAPT
SCHEMBL2145331 0.72 JAK2 (0.60) JAK1JAK2NUDT1TYK2

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 5 patents. 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 claimed
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
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
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
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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