SCHEMBL29989142

SCHEMBL29989142

[2H]C([2H])([2H])NC(=O)c1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NAPRT Q6XQN6 1/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 3/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
EGFR P00533 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL30498323 0.90 NAPRT (0.49) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL103123 0.87 RAB9A (0.61) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL30498191 0.80 JUN (0.44) RAB9ASMN1; SMN2KCNQ3KCNQ2KCNE1
Hydrochloric Acid SCHEMBL30498453 0.79 JUN (0.43) RAB9ASMN1; SMN2KCNQ3KCNQ2KCNE1
SCHEMBL1725139 0.78 NAPRT (0.62) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL13360508 0.77 NAPRT (0.60) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL931481 0.77 NAPRT (0.60) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL2981251 0.77 NAPRT (0.60) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL31295356 0.77 NAPRT (0.60) RAB9ASMN1; SMN2NAPRTKMT2AMEN1
SCHEMBL13527490 0.76 RAB9A (0.56) RAB9ASMN1; SMN2NAPRTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP disclosed
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-116888125-B TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-04-12 CN disclosed
CN-116888125-A TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2023-10-13 CN disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
WO-2022213980-A1 TYK2 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-10-13 WO disclosed