SCHEMBL31143236

SCHEMBL31143236

O=C(O)c1ccnc(N2CCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.74
▸ KDM4C Q9H3R0 10/20 0.53
▸ KDM5A P29375 8/20 0.53
▸ KDM5B Q9UGL1 7/20 0.53
▸ PROKR1 Q8TCW9 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KDM2B Q8NHM5 4/20 0.51
▸ KDM4A O75164 4/20 0.50
▸ KDM6B O15054 1/20 0.50
▸ TET3 O43151 1/20 0.50
▸ BBOX1 O75936 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KDM5C P41229 1/20 0.50
▸ ASPH Q12797 1/20 0.50

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
SCHEMBL1516867 1.00 PIK3CA (0.74) PIK3CAKDM4CKDM5AKDM5BPROKR1
Hydrochloric Acid SCHEMBL1252523 0.98 PIK3CA (0.72) PIK3CAKDM4CKDM5AKDM5BPROKR1
SCHEMBL30505327 0.98 PIK3CA (0.72) PIK3CAKDM4CKDM5AKDM5BPROKR1
SCHEMBL1255519 0.98 PIK3CA (0.72) PIK3CAKDM4CKDM5AKDM5BPROKR1
SCHEMBL27991055 0.88 PIK3CA (0.58) PIK3CAPROKR1CTSAPRKD3PRKD1
SCHEMBL20951723 0.87 PIK3CA (0.62) PIK3CAKDM4CKDM5AKDM5BPROKR1
SCHEMBL12552657 0.85 PIK3CA (0.60) PIK3CAKDM4CKDM5AKDM5BPROKR1
SCHEMBL1255470 0.85 PIK3CA (1.00) PIK3CAKDM4CKDM5AKDM5BKDM4E
SCHEMBL28466905 0.85 PIK3CA (0.68) PIK3CAKDM4CKDM5AKDM5BKDM4E
SCHEMBL20951481 0.85 PIK3CA (0.68) PIK3CAKDM4CKDM5AKDM5BKDM2B

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-118974036-A Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-11-15 — — CN disclosed
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