SCHEMBL28103573

SCHEMBL28103573

NC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.77
SYK P43405 2/20 0.60
ZAP70 P43403 1/20 0.60
MAPK8 P45983 3/20 0.57
MAPK9 P45984 2/20 0.55
TYK2 P29597 1/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CSF1R P07333 1/20 0.53
STAT6 P42226 1/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL28103922 0.91 PDE4B (0.73) PDE4BSYKZAP70MAPK9TYK2
SCHEMBL11166045 0.88 PDE4B (0.62) PDE4BMEN1ALDH1A1LMNAKMT2A
SCHEMBL28103925 0.88 PDE4B (0.66) PDE4BSYK
SCHEMBL27930309 0.88 PDE4B (0.69) PDE4BSYKZAP70MAPK8TYK2
SCHEMBL28103913 0.88 PDE4B (0.69) PDE4BSYKMAPK8MAPK9MEN1
SCHEMBL5265201 0.84 PDE4B (0.60) PDE4BMAPK8MEN1ALDH1A1LMNA
SCHEMBL5264668 0.80 PDE4B (0.56) PDE4BSYKZAP70MAPK8TYK2
SCHEMBL11160276 0.79 ALDH1A1 (0.67) PDE4BSYKMEN1ALDH1A1LMNA
SCHEMBL1313173 0.78 MAPK8 (0.58) PDE4BSYKZAP70MAPK8MAPK9
SCHEMBL3256027 0.78 MEN1 (0.55) PDE4BMAPK8MEN1ALDH1A1LMNA

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-103214489-B One class Mutiple Targets inhibitors of kinases with anti-tumor activity and preparation method thereof 中国人民解放军第二军医大学 2016-10-26 CN disclosed