SCHEMBL25515239

SCHEMBL25515239

Cc1cnc2c(=O)n(C)cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
SYK P43405 3/20 0.38
BRD4 O60885 1/20 0.37
IP6K1 Q92551 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ACVR1 Q04771 2/20 0.35

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
SCHEMBL22226940 0.81 HSD17B10 (0.41) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL19363271 0.81 L3MBTL1 (0.38) L3MBTL1SYKIP6K1KDM4EALDH1A1
SCHEMBL10238681 0.75 GRM5 (0.50) CCR1CCR5CCR8BRD4KDM4E
SCHEMBL31278602 0.73 SYK (0.39) L3MBTL1SYKIP6K1ALDH1A1
SCHEMBL7600928 0.71 L3MBTL1 (0.49) L3MBTL1IP6K1F2RL3KDM4EALDH1A1
SCHEMBL27262438 0.70 CCR1 (0.55) CCR1CCR5CCR8BRD4KDM4E
SCHEMBL10328337 0.69 ACVR1 (0.50) L3MBTL1SYKBRD4IP6K1KDM4E
SCHEMBL7600132 0.68 L3MBTL1 (0.60) L3MBTL1IP6K1F2RL3KDM4EALDH1A1
SCHEMBL29607244 0.68 L3MBTL1 (0.60) L3MBTL1IP6K1F2RL3KDM4EALDH1A1
SCHEMBL24242354 0.68 ALDH1A1 (0.34) SYKF2RL3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088425-A1 15-PGDH INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-05-25 WO disclosed