SCHEMBL28577332

SCHEMBL28577332

O=C(Nc1ccnc(Nc2ccccc2)c1)c1cc(Cl)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.67
KCNMA1 Q12791 3/20 0.64
JAK2 O60674 1/20 0.63
TYK2 P29597 1/20 0.63
P2RX1 P51575 12/20 0.62
P2RX4 Q99571 4/20 0.62
P2RX7 Q99572 4/20 0.62
SLC2A1 P11166 1/20 0.54
ANO1 Q5XXA6 1/20 0.53
FADS1 O60427 1/20 0.52

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
SCHEMBL30216760 1.00 TMPRSS4 (0.67) TMPRSS4KCNMA1JAK2TYK2P2RX1
SCHEMBL538439 0.82 TMPRSS4 (1.00) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL330431 0.81 KCNMA1 (0.72) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL28567056 0.79 TMPRSS4 (0.61) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL30216762 0.79 TMPRSS4 (0.61) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL14886092 0.78 KCNMA1 (1.00) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL11932152 0.78 P2RX1 (1.00) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL3512308 0.78 TYK2 (1.00) JAK2TYK2
SCHEMBL17770404 0.77 P2RX1 (0.68) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL30503640 0.77 P2RX1 (0.68) TMPRSS4KCNMA1P2RX1P2RX4P2RX7

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-112812056-B N-pyridine-4-yl benzamide Cdc37 inhibitor and derivative and application thereof 中国药科大学 2023-01-31 CN disclosed
CN-112812056-A N-pyridin-4-ylbenzamide Cdc37 inhibitors, derivatives thereof and uses thereof 中国药科大学 2021-05-18 CN disclosed