SCHEMBL30554351

SCHEMBL30554351

Nc1cc2c(-c3ccncc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.34
BRAF P15056 2/20 0.34
KDR P35968 2/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MAP2K3 P46734 1/20 0.33
NOTUM Q6P988 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KIF11 P52732 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NSD3 Q9BZ95 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL20916954 1.00 SRC (0.34) SRCBRAFKDRADORA2AADORA1
SCHEMBL30084116 0.86 PTGER1 (0.38) SRCBRAFKDRADORA2AADORA1
SCHEMBL30084121 0.86 PTGER1 (0.42) SRCBRAFKDRADORA2AADORA1
SCHEMBL173515 0.86 PTGER1 (0.38) SRCBRAFKDRADORA2AADORA1
SCHEMBL22284230 0.84 ADORA2A (0.36) ADORA2AMAPK14
SCHEMBL16619937 0.83 ALDH1A1 (0.36) ADORA2AADORA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2732363 0.81 DCLK1 (0.40) MKNK1NOTUML3MBTL1ALDH1A1KMT2A
SCHEMBL2733380 0.81 MKNK1 (0.33) MKNK1NOTUML3MBTL1KIF11CYP11B1
SCHEMBL30084130 0.81 PTGER1 (0.38) BRAFMKNK1NOTUML3MBTL1ALDH1A1
SCHEMBL20920119 0.79 L3MBTL1 (0.41) L3MBTL1CYP11B1CYP11B2ALDH1A1KMT2A

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