SCHEMBL29559896

SCHEMBL29559896

Cc1cc2cc(C(F)(F)F)cc(C#N)c2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HPGD P15428 6/20 0.49
▸ GAA P10253 5/20 0.49
▸ GLA P06280 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ XDH P47989 2/20 0.34
▸ KDM5A P29375 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ DAO P14920 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
SCHEMBL22866492 1.00 KDM4E (0.49) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL22858208 0.78 CDK4 (0.41) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL22866493 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL29559825 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL23502945 0.69 AR (0.42) —
SCHEMBL20670865 0.67 XDH (0.35) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL562812 0.66 KDM4E (1.00) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL16858459 0.66 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL29560609 0.66 PARP1 (0.51) ALDH1A1
SCHEMBL23503139 0.66 AR (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 — — CN disclosed
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 — — EP disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 — — CN disclosed
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