SCHEMBL29863818

SCHEMBL29863818

Cc1nc(Cl)nc2cnn(C3CCCCO3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP4F2 P78329 3/20 0.39
▸ CYP4A11 Q02928 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RET P07949 2/20 0.34
▸ ATR Q13535 3/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL29864329 0.87 ALDH1A1 (0.44) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL12398418 0.80 YTHDC1 (0.47) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL23013670 0.77 ALDH1A1 (0.42) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL19211047 0.76 ALDH1A1 (0.44) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL31288076 0.75 ALDH1A1 (0.43) YTHDC1ALDH1A1LMNAPOLBCYP4F2
Hydrochloric Acid SCHEMBL23014449 0.74 ALDH1A1 (0.40) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL23014451 0.73 ALDH1A1 (0.39) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL24402225 0.72 PDE4D (0.46) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL31144187 0.72 PDE4D (0.46) YTHDC1ALDH1A1LMNAPOLBCYP4F2
SCHEMBL28495548 0.72 ALDH1A1 (0.42) YTHDC1ALDH1A1LMNAPOLBCYP4F2

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
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