SCHEMBL28611481

SCHEMBL28611481

CN(C)C1CCN(c2cnc(OC(N)=O)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.42
EGFR P00533 1/20 0.37
ALK Q9UM73 1/20 0.37
IKBKB O14920 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PDE1B Q01064 1/20 0.36
MCHR1 Q99705 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SYK P43405 2/20 0.35
PLK1 P53350 3/20 0.35
FGFR4 P22455 1/20 0.35
PTPN11 Q06124 1/20 0.34
ACVR1 Q04771 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
MAPK7 Q13164 1/20 0.34

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
SCHEMBL19066144 0.81 L3MBTL3 (0.35) L3MBTL3EGFRALKPDE1BMCHR1
SCHEMBL16892009 0.76 PTPN11 (0.42) L3MBTL3PDE1BHRH3PTPN11ACVR1
SCHEMBL20311336 0.75 ACVR1 (0.42) L3MBTL3EGFRPDE1BPTPN11ACVR1
SCHEMBL28535183 0.73 LGMN (0.43) L3MBTL3EGFRALKL3MBTL1PLK1
SCHEMBL1992323 0.73 CDK2 (0.43) EGFRPTPN11ACVR1CDK1CDK4
SCHEMBL28537166 0.72 L3MBTL3 (0.36) L3MBTL3EGFRALKIKBKBL3MBTL1
SCHEMBL28616219 0.72 GPR119 (0.36) L3MBTL3
SCHEMBL28664515 0.71 FYN (0.41) EGFRALKMCHR1PLK1CDK4
SCHEMBL25085650 0.71 ACVR1 (0.38) L3MBTL3EGFRPDE1BHRH3PTPN11
SCHEMBL21267364 0.71 CDK4 (0.40) L3MBTL3PDE1BPTPN11ACVR1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549069-A Kinase inhibitor 重庆复创医药研究有限公司 2021-10-26 CN disclosed
CN-108779117-B Kinase inhibitor 重庆复创医药研究有限公司 2021-08-31 CN disclosed