SCHEMBL22866499

SCHEMBL22866499

Cc1nc2cc(C(F)(F)F)c(Br)c(Br)c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.46
PARP1 P09874 4/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL22866502 0.84 GAA (0.47) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL29561076 0.84 GAA (0.47) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL22866738 0.84 TYMS (0.40) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL29560040 0.84 TYMS (0.40) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL22866739 0.84 TYMS (0.40) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL29561250 0.77 TYMS (0.40) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL22866819 0.77 TYMS (0.40) TYMSPARP1MAPTKDM4EHPGD
SCHEMBL29560152 0.75 CACNA1H (0.36) TYMSPARP1HPGDCDK4CCND1
SCHEMBL22866737 0.75 CACNA1H (0.36) TYMSPARP1HPGDCDK4CCND1
SCHEMBL22866609 0.74 GAA (0.48) TYMSPARP1MAPTKDM4EHPGD

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 4 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
WO-2021003157-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS EFFECTOR THERAPEUTICS, INC. (US) 2021-01-07 WO disclosed