SCHEMBL29205778

SCHEMBL29205778

CNC1(CN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.42
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
NAMPT P43490 2/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
RECQL P46063 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL1003106 0.85 EPHX2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL1586974 0.82 EPHX2 (0.43) USP2SMN1; SMN2EPHX2EPHX1MMP13
SCHEMBL22770533 0.81 KDM4E (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL18319088 0.81 EPHX2 (0.42) USP2SMN1; SMN2EPHX2EPHX1TSHR
SCHEMBL18418212 0.81 USP2 (0.50) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL4778809 0.80 EPHX2 (0.39) USP2SMN1; SMN2EPHX2ADAM17
SCHEMBL19625229 0.80 EPHX2 (0.39) USP2SMN1; SMN2EPHX2NAMPTMMP13
SCHEMBL12113151 0.80 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL1586924 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL154164 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2EPHX1HPGD

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
EP-4463231-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-11-20 EP disclosed
CN-118234731-A RAS inhibitors 锐新医药公司 2024-06-21 CN disclosed
EP-4346898-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2024-04-10 EP disclosed
CN-117715658-A Method for inhibiting RAS 锐新医药公司 2024-03-15 CN disclosed
EP-4334321-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-03-13 EP disclosed
WO-2023133543-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-07-13 WO disclosed
WO-2022251292-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2022-12-01 WO disclosed
WO-2022235864-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2022-11-10 WO disclosed