SCHEMBL8137309

SCHEMBL8137309

O=c1[nH]c(=O)n2c3c(cccc13)SCC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.50
LIPG Q9Y5X9 1/20 0.40
BCL2L1 Q07817 4/20 0.38
BCL2 P10415 7/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL30556066 0.74 LMNA (0.35) MCL1LIPGTP53LMNA
SCHEMBL29947861 0.73 ADRB2 (0.33) MCL1
SCHEMBL23540521 0.73 ADRB2 (0.33) MCL1
SCHEMBL6999859 0.73 KMT2A (0.50) MCL1MAPTLMNAPOLBTDP1
SCHEMBL29654386 0.72 HDAC8 (0.33)
SCHEMBL23540663 0.72 HDAC8 (0.33)
SCHEMBL9586314 0.71 MCL1 (0.46) MCL1LIPGBCL2L1BCL2MAPT
SCHEMBL7005388 0.71 HPGD (0.55) MCL1LMNAPOLB
SCHEMBL7005451 0.71 HTR3A (0.36) MAPTLMNATDP1
SCHEMBL7004582 0.70 HPGD (0.50) MCL1LIPGLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183755-A1 TRICYCLIC PYRIMIDONES ERASCA, INC. (US) 2023-09-28 WO disclosed
WO-2022265974-A1 AMINOHETEROCYCLE-SUBSTITUTED TRICYCLIC KRAS INHIBITORS ERASCA, INC. (US) 2022-12-22 WO disclosed
EP-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO disclosed