SCHEMBL31612962

SCHEMBL31612962

Nc1cc(C(F)(F)F)n(C2CCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.35
▸ MAP3K12 Q12852 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MPO P05164 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ HCK P08631 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ KDR P35968 2/20 0.32

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
SCHEMBL24008132 0.85 RET (0.34) MAP3K12ALDH1A1KDM4ELMNAKCNH2
SCHEMBL27193361 0.80 MAP3K12 (0.42) MAP3K12PIK3CDABL1EGFRHCK
SCHEMBL27193654 0.80 MAP3K12 (0.42) MAP3K12PIK3CDABL1EGFRHCK
SCHEMBL24567236 0.80 MAP3K12 (0.42) MAP3K12PIK3CDABL1EGFRHCK
SCHEMBL25647108 0.76 GABRA2 (0.38) NR3C2MAP3K12HPGDALDH1A1KDM4E
SCHEMBL24566083 0.75 MGAT2 (0.31) —
SCHEMBL24007613 0.74 STS (0.44) KDM4EPIK3CAMTORPIK3CGTHRB
SCHEMBL25599957 0.73 MAP3K12 (0.30) MAP3K12
SCHEMBL31052495 0.73 HPGD (0.43) HPGDMPOALDH1A1KDM4EGAA
SCHEMBL16794528 0.72 NR3C2 (0.45) NR3C2MAP3K12HPGDMPOALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119300-A1 MYT1 KINASE INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 广东东阳光药业股份有限公司 2025-06-12 — — WO disclosed
CN-120118088-A Myt1 kinase inhibitor compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-06-10 — — CN disclosed
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