SCHEMBL30760451

SCHEMBL30760451

COC(=O)c1cnn2cc(Cl)ncc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.38
EPHB3 P54753 3/20 0.37
KMT2A Q03164 4/20 0.36
STING1 Q86WV6 1/20 0.36
GAA P10253 1/20 0.35
NR4A2 P43354 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ATR Q13535 1/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 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
SCHEMBL27292456 0.81 NAPRT (0.38) LMNAEPHB3KMT2AKDM4EALDH1A1
SCHEMBL30977391 0.79 EPHB3 (0.56) LMNAEPHB3KMT2AGAANR4A2
SCHEMBL405964 0.78 EPHB3 (0.39) LMNAMAPK1EPHB3KMT2ASTING1
SCHEMBL1325106 0.74 CA12 (0.44) LMNAEPHB3KMT2AGAANR4A2
SCHEMBL31383589 0.73 GAA (0.44) LMNAEPHB3KMT2AGAANR4A2
SCHEMBL13883203 0.73 EPHB3 (0.40) LMNAEPHB3KMT2AGAANR4A2
SCHEMBL29585395 0.73 IRAK4 (0.44) LMNAEPHB3KMT2ANR4A2KDM4E
SCHEMBL3616031 0.73 LCK (0.45) LMNAEPHB3KMT2AKDM4EALDH1A1
SCHEMBL2059684 0.73 KMT2A (0.42) LMNAEPHB3KMT2ANR4A2POLB
SCHEMBL18327124 0.72 KMT2A (0.39) LMNAKMT2AGAANR4A2KDM4E

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
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed