SCHEMBL29864035

SCHEMBL29864035

Cc1cc(C(F)(F)F)nn1-c1ccc(I)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
STIM1 Q13586 2/20 0.40
ORAI1 Q96D31 2/20 0.40
PTGS2 P35354 4/20 0.40
CRACR2A Q9BSW2 8/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL14887733 1.00 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL14996569 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL14881344 0.82 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL25292186 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL29864237 0.82 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL13105375 0.80 MAPT (0.51) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL29864100 0.80 MAPT (0.45) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL25292190 0.79 STIM1 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL25247038 0.79 STIM1 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL31504037 0.79 STIM1 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10

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
EP-4291559-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Tango Therapeutics, Inc. (US) 2023-12-20 EP disclosed
WO-2022174184-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed