SCHEMBL4790004

SCHEMBL4790004

NC(=O)c1cnc(N2CCCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.45
UBE2T Q9NPD8 1/20 0.44
AOC3 Q16853 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN11 Q06124 1/20 0.40
JAK3 P52333 1/20 0.40
CHRNB2 P17787 1/20 0.40

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
SCHEMBL20917117 0.98 POLB (0.50) POLBSMN1; SMN2HDAC6MAPTALDH1A1
SCHEMBL186135 0.83 POLB (0.69) POLBSMN1; SMN2HDAC6MAPTALDH1A1
SCHEMBL25419798 0.82 CHRNB2 (0.51) POLBHDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL3126575 0.82 POLB (0.73) POLBHDAC6ALDH1A1AOC3HSD17B10
SCHEMBL28373607 0.82 HDAC3 (0.56) POLBHDAC6MAPTALDH1A1HSD17B10
SCHEMBL16663857 0.81 POLB (0.59) POLBSMN1; SMN2HDAC6MAPTALDH1A1
SCHEMBL184998 0.81 POLB (0.71) POLBSMN1; SMN2HDAC6MAPTALDH1A1
Hydrochloric Acid SCHEMBL30422704 0.81 ALDH1A1 (0.53) POLBHDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL30416706 0.80 HDAC6 (0.53) HDAC6AOC3JAK3
SCHEMBL1011366 0.80 HDAC6 (0.41) POLBHDAC6MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598858-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-09-06 CN disclosed
CN-116143757-B Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-07-05 CN disclosed
CN-116143757-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2023-05-23 CN disclosed
EP-1937682-A1 MET KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed