SCHEMBL30554359

SCHEMBL30554359

O=C(NCc1ccccc1)c1nc2cc3c(-c4ccncc4)n[nH]c3cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.64
MAPK3 P27361 5/20 0.64
NAMPT P43490 2/20 0.50
CNR2 P34972 1/20 0.48
ROCK2 O75116 4/20 0.48
GRK2 P25098 3/20 0.48
PRKCA P17252 2/20 0.48
GRK3 P35626 2/20 0.48
GRK7 Q8WTQ7 2/20 0.48
ITK Q08881 1/20 0.48
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
PRKCG P05129 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
PRKCD Q05655 1/20 0.47

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
SCHEMBL20931373 1.00 MAPK1 (0.64) MAPK1MAPK3NAMPTCNR2ROCK2
SCHEMBL20931672 0.91 MAPK1 (0.55) MAPK1MAPK3NAMPTROCK2GRK2
SCHEMBL20931576 0.90 MAPK1 (0.66) MAPK1MAPK3ROCK2GRK2
SCHEMBL20931729 0.86 MAPK1 (0.49) MAPK1MAPK3
SCHEMBL20916803 0.85 MAPK1 (0.52) MAPK1MAPK3
SCHEMBL20931859 0.85 MAPK1 (0.47) MAPK1MAPK3NAMPTROCK2GRK2
SCHEMBL20916861 0.84 MAPK1 (0.48) MAPK1MAPK3NAMPTROCK2GRK2
SCHEMBL20917257 0.84 MAPK1 (0.48) MAPK1MAPK3NAMPTDYRK1A
SCHEMBL20931411 0.84 MAPK1 (0.50) MAPK1MAPK3ROCK2PRKACAROCK1
SCHEMBL30554297 0.84 MAPK1 (0.50) MAPK1MAPK3ROCK2PRKACAROCK1

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-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 CN disclosed