SCHEMBL29943886

SCHEMBL29943886

Nc1nnc(Cl)cc1N1CCN(c2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.54
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41
▸ KDM4C Q9H3R0 12/20 0.41
▸ KDM5B Q9UGL1 9/20 0.41
▸ KDM5A P29375 9/20 0.40

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
SCHEMBL23630405 1.00 PIK3CA (0.54) PIK3CAGABRPGABRDGABRA1GABRB1
SCHEMBL23630466 0.86 PIK3CA (0.47) PIK3CAKDM4CKDM5BKDM5AKDM4E
SCHEMBL29944012 0.86 PIK3CA (0.47) PIK3CAKDM4CKDM5BKDM5AKDM4E
SCHEMBL23630324 0.83 SMO (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29944108 0.83 GABRP (0.45) PIK3CAGABRPGABRDGABRA1GABRB1
SCHEMBL23630379 0.83 GABRP (0.45) PIK3CAGABRPGABRDGABRA1GABRB1
SCHEMBL29943898 0.81 AOC3 (0.40) PIK3CAKDM4EHSD17B10ALDH1A1
SCHEMBL23630479 0.81 AOC3 (0.40) PIK3CAKDM4EHSD17B10ALDH1A1
SCHEMBL23630485 0.80 ALDH1A1 (0.55) KDM4EGAAHSD17B10L3MBTL1ALDH1A1
SCHEMBL29944092 0.80 ALDH1A1 (0.55) KDM4EGAAHSD17B10L3MBTL1ALDH1A1

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-4087658-A1 SMARCA2-VHL DEGRADERS Amgen Inc. (US) 2022-11-16 — — EP disclosed
Send feedback