SCHEMBL31226430

SCHEMBL31226430

CCOc1c(N)cccc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PNMT P11086 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL2211960 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4TP53TSHRTDP1
SCHEMBL6943999 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4TP53TSHRTDP1
SCHEMBL14764447 0.81 MAPT (0.38) ALDH1A1CYP3A4TP53PNMTTSHR
SCHEMBL27893642 0.80 CYP1A2 (0.43) ALDH1A1CYP3A4TP53TSHRHSD17B10
SCHEMBL11436863 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4PNMTTSHRTDP1
SCHEMBL14217776 0.79 MAOB (0.44) ALDH1A1CYP3A4TP53PNMTL3MBTL1
SCHEMBL23146537 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4TP53TSHRTDP1
SCHEMBL5050464 0.76 ALDH1A1 (0.67) ALDH1A1CYP3A4TP53TSHRTDP1
SCHEMBL22366691 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4TP53TSHRTDP1
SCHEMBL28207980 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4TP53TSHRTDP1

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-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 — — EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 — — WO disclosed
Send feedback