SCHEMBL30173028

SCHEMBL30173028

CC(c1ccc(NC(=O)C2CC2)nc1)C1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.52
ABL1 P00519 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL24992627 1.00 DEGS1 (0.52) DEGS1ABL1NPC1RAB9ATSHR
SCHEMBL24103799 0.81 DEGS1 (0.58) DEGS1ABL1NPC1RAB9AALDH1A1
SCHEMBL23089232 0.81 DEGS1 (0.47) DEGS1ABL1NPC1RAB9ATSHR
SCHEMBL30865568 0.73 HSD11B1 (0.45)
SCHEMBL24992616 0.73 ADORA2A (0.43) DEGS1ABL1TSHRTP53GSK3B
SCHEMBL24992626 0.73 ROCK2 (0.46) DEGS1ABL1TSHRMAPTTP53
SCHEMBL21424095 0.73 DEGS1 (0.49) DEGS1ABL1NPC1RAB9AKMT2A
SCHEMBL23750583 0.72 MKNK1 (0.52) DEGS1ABL1KMT2AWNT1GSK3B
SCHEMBL24992622 0.71 TYK2 (0.42) DEGS1ABL1TSHRMAPTTP53
SCHEMBL15785485 0.70 MAPT (0.66) DEGS1NPC1RAB9AALDH1A1MAPT

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
EP-4380565-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-06-12 EP disclosed
CN-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed
WO-2023015199-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-02-09 WO disclosed