SCHEMBL29131777

SCHEMBL29131777

Clc1ccnc2cn(C3CCCCO3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.36
ATR Q13535 6/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
BRAF P15056 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
KMT5B Q4FZB7 1/20 0.32
KMT5C Q86Y97 1/20 0.32
RET P07949 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL31178702 0.75 ALDH1A1 (0.33) YTHDC1CYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL31138557 0.75 YTHDC1 (0.41) YTHDC1CYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL4752520 0.73 CYP2C19 (0.40) YTHDC1ATRCYP1A2TSHRCYP2C19
SCHEMBL31750935 0.73 YTHDC1 (0.35) YTHDC1ATRCYP1A2TSHRCYP2C19
SCHEMBL476839 0.72 HPGD (0.37) YTHDC1CYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL31179407 0.72 ATR (0.38) ATRTSHRKDM4EKMT2AABL1
SCHEMBL25189871 0.69 ALDH1A1 (0.38) YTHDC1CYP1A2TSHRCYP2C19KDM4E
SCHEMBL15401068 0.68 YTHDC1 (0.36) YTHDC1CYP2C19CYP4F2CYP4A11BRAF
SCHEMBL28801167 0.68 RET (0.35) ATRCYP2C19CYP4F2CYP4A11MEN1
SCHEMBL3953322 0.68 NOS1 (0.43) YTHDC1ATRCYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 CN disclosed
EP-4274832-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2023-11-15 EP disclosed
WO-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 WO disclosed