SCHEMBL21394871

SCHEMBL21394871

CN1N=C(C(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.49
RAB9A P51151 6/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ABL1 P00519 3/20 0.45
LMNA P02545 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
SCD O00767 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL22479683 0.89 GAA (0.46) RIPK1RAB9AKMT2ANPC1MAPT
SCHEMBL29353798 0.86 SCD (0.52) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL21394882 0.86 SCD (0.52) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL21394864 0.86 LMNA (0.62) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL21394669 0.86 RAB9A (0.56) RIPK1RAB9AKMT2ANPC1MAPT
SCHEMBL21394885 0.85 SCD (0.56) RIPK1RAB9AKMT2ANPC1MAPT
SCHEMBL21395165 0.84 ABL1 (0.61) KMT2AMAPTMEN1ABL1LMNA
SCHEMBL21394906 0.83 POLB (0.46) RIPK1RAB9AKMT2ANPC1MAPT
SCHEMBL21395036 0.82 RAB9A (0.42) RIPK1RAB9AITK
SCHEMBL29355405 0.82 RAB9A (0.42) RIPK1RAB9AITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed