SCHEMBL30808262

SCHEMBL30808262

Nc1c(Cl)ncnc1NC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.47
EGFR P00533 1/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
MAP4K4 O95819 1/20 0.43
PAK1 Q13153 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
ADORA1 P30542 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL21138338 1.00 HPGDS (0.47) HPGDSEGFRHTTLMNAMAP4K4
SCHEMBL11617161 0.95 HPGDS (0.50) HPGDSEGFRHTTLMNAPAK1
SCHEMBL767164 0.93 HPGDS (0.42) HPGDSEGFRHTTLMNAMAP4K4
SCHEMBL21138216 0.87 MAPK8 (0.44) HPGDSHTTLMNAPAK1TP53
SCHEMBL21138485 0.85 CD38 (0.40) HPGDSEGFRHTTMAP4K4CYP3A4
SCHEMBL21138491 0.84 JAK2 (0.49) HPGDSEGFRTP53JAK2JAK1
SCHEMBL21138337 0.84 JAK2 (0.49) HPGDSEGFRTP53JAK2JAK1
SCHEMBL21138209 0.83 HPGDS (0.37) HPGDSEGFRMAP4K4TP53JAK2
SCHEMBL21057420 0.83 HPGDS (0.37) HPGDSEGFRMAP4K4TP53JAK2
SCHEMBL21138334 0.81 MAPK8 (0.40) HPGDSEGFRHTTLMNAPAK1

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
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed