SCHEMBL31207334

SCHEMBL31207334

Nc1nc2[nH]nc(N)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.35
▸ SGK1 O00141 3/20 0.35
▸ PDPK1 O15530 5/20 0.33
▸ JAK2 O60674 5/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ILK Q13418 3/20 0.32
▸ CYBB P04839 1/20 0.30
▸ NCF1 P14598 1/20 0.30

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
SCHEMBL14746268 0.82 JAK2 (0.36) SGK1PDPK1JAK2ILK
SCHEMBL26675449 0.76 JAK2 (0.44) PDPK1JAK2GAAKDM4E
SCHEMBL12467662 0.75 PDPK1 (0.36) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL26675436 0.75 PDPK1 (0.38) PDPK1KDM4E
SCHEMBL26675423 0.72 GRM4 (0.34) —
SCHEMBL29768225 0.72 GRM4 (0.34) —
SCHEMBL23356033 0.69 JAK2 (0.50) JAK2GAAKDM4E
SCHEMBL23356139 0.69 EGFR (0.44) KDM4ECYP3A4
SCHEMBL175432 0.69 RET (0.38) SGK1PDPK1JAK2GAAKDM4E
SCHEMBL30440210 0.69 RET (0.38) SGK1PDPK1JAK2GAAKDM4E

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-2024224298-A1 METHOD OF PREPARING 4-AMINOINDAN AND METHOD OF PREPARING DIHYDROINDENYL-PYRAZOLO[3,4-B]PYRIDINE-AMINE COMPOUND 제이더블유중외제약 주식회사 2024-10-31 — — WO disclosed
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