SCHEMBL29348302

SCHEMBL29348302

CC(C)c1ccnc(CCc2ncccn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ IGF1R P08069 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
SCHEMBL13533992 0.80 KDM4E (0.50) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL20280911 0.79 HRH1 (0.46) RXRAGRIN1GRIN2BALDH1A1CYP2C19
SCHEMBL12394763 0.79 HRH4 (0.40) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL6638892 0.79 KDM4E (0.38) RXRAGRIN1GRIN2BTAS1R3TAS1R1
SCHEMBL18799858 0.77 LMNA (0.40) RXRAGRIN1GRIN2BCYP1A2NOS1
SCHEMBL20656683 0.76 CYP1A2 (0.56) ALDH1A1CYP1A2DYRK1ASMN1; SMN2HRH3
SCHEMBL2547950 0.76 KCNH2 (0.42) CYP1A2KDM4ELMNACYP3A4TSHR
SCHEMBL11994370 0.76 CYP1A2 (0.46) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL19821720 0.75 KDM4E (0.35) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL3507581 0.74 TLR9 (0.38) RXRAGRIN1GRIN2BALDH1A1CYP1A2

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 — — WO disclosed
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