SCHEMBL23628573

SCHEMBL23628573

CN(c1ccncc1)c1ncccc1C(=O)Nc1ccc(C2(C#N)CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.63
MAP3K20 Q9NYL2 1/20 0.63
RIPK3 Q9Y572 1/20 0.63
KDR P35968 7/20 0.61
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
PRKCI P41743 1/20 0.40
TYK2 P29597 1/20 0.37

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
SCHEMBL23753626 0.96 KDR (0.67) RETMAP3K20RIPK3KDRNPC1
SCHEMBL31362681 0.81 RET (0.59) RETMAP3K20RIPK3KDRNPC1
SCHEMBL28384594 0.79 RAB9A (0.65) RETMAP3K20RIPK3KDRNPC1
SCHEMBL28235245 0.79 ALDH1A1 (0.65) RETMAP3K20RIPK3KDRNPC1
SCHEMBL31362666 0.79 ALDH1A1 (0.65) RETMAP3K20RIPK3KDRNPC1
Rivoceranib SCHEMBL1814966 0.77 RET (1.00) RETMAP3K20RIPK3KDRNPC1
Rivoceranib SCHEMBL29360856 0.77 RET (1.00) RETMAP3K20RIPK3KDRNPC1
SCHEMBL3115333 0.77 KMT2A (0.46) KDRNPC1RAB9AALDH1A1KMT2A
SCHEMBL6014666 0.77 RET (0.98) RETMAP3K20RIPK3KDRNPC1
SCHEMBL3115288 0.77 NAMPT (0.49) KDRNPC1RAB9AKMT2APRKCI

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
EP-3847164-A1 NEW CRYSTALLINE POLYMORPHS OF RIVOCERANIB AND RIVOCERANIB MESYLATE Assia Chemical Industries Ltd (IL) 2021-07-14 EP disclosed