SCHEMBL21394850

SCHEMBL21394850

CN1N=C(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.57
MAP4K1 Q92918 1/20 0.47
POLB P06746 1/20 0.44
LMNA P02545 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPER1 Q99527 1/20 0.43
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL29353818 1.00 ABL1 (0.57) ABL1MAP4K1POLBLMNATDP1
SCHEMBL21394793 0.89 GPER1 (0.51) ABL1LMNAGPER1RAB9AMEN1
SCHEMBL29358195 0.89 ABL1 (0.44) ABL1LMNAGPER1RAB9AMEN1
SCHEMBL29354643 0.89 GPER1 (0.51) ABL1LMNAGPER1RAB9AMEN1
SCHEMBL21394805 0.89 ABL1 (0.44) ABL1LMNAGPER1RAB9AMEN1
SCHEMBL21394796 0.89 POLB (0.59) ABL1POLBLMNATDP1RAB9A
SCHEMBL29356996 0.89 POLB (0.59) ABL1POLBLMNATDP1RAB9A
SCHEMBL21394669 0.86 RAB9A (0.56) ABL1POLBLMNARAB9AMEN1
SCHEMBL22479443 0.86 MEN1 (0.46) ABL1POLBLMNATDP1RAB9A
SCHEMBL21395007 0.84 RAB9A (0.59) ABL1POLBLMNAGPER1RAB9A

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 7 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
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