SCHEMBL29520473

SCHEMBL29520473

CN1C(=O)c2cc(N=C(c3ccccc3)c3ccccc3)cnc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29520263 0.69 RAF1 (0.33)
SCHEMBL29520451 0.69 HSD17B10 (0.40) HTT
SCHEMBL27020187 0.69 ESR1 (0.35) ESR1ESR2
SCHEMBL3386454 0.67 GRM5 (0.53) ESR1ESR2GAARAB9A
SCHEMBL3302451 0.66 NAMPT (0.42) ESR1ESR2MAPTLMNAHTT
SCHEMBL30635519 0.66 MAPT (0.36) MAPT
SCHEMBL29520155 0.66 MEN1 (0.38) GAAMAPTHTTRAB9A
SCHEMBL22188020 0.66 MEN1 (0.38) GAAMAPTHTTRAB9A
SCHEMBL31600732 0.65 ADORA3 (0.35) ESR1ESR2LMNAHTTRAB9A
SCHEMBL28964104 0.65 CES2 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed