SCHEMBL29944012

SCHEMBL29944012

COC(=O)c1ccnc(N2CCN(c3cc(Cl)nnc3N)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ NPC1 O15118 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM5A P29375 3/20 0.41
▸ KDM5B Q9UGL1 3/20 0.41
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ JMJD6 Q6NYC1 1/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ LIMK1 P53667 1/20 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
SCHEMBL23630466 1.00 PIK3CA (0.47) PIK3CAHRH3NPC1KDM4ERAB9A
SCHEMBL29943886 0.86 PIK3CA (0.54) PIK3CAKDM4EKDM5AKDM5BKDM4C
SCHEMBL23630405 0.86 PIK3CA (0.54) PIK3CAKDM4EKDM5AKDM5BKDM4C
SCHEMBL29943975 0.81 NPC1 (0.54) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL23630487 0.81 NPC1 (0.54) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL23630325 0.81 AOC3 (0.40) PIK3CAHRH3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL29943895 0.81 AOC3 (0.40) PIK3CAHRH3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL23630351 0.77 PIK3CA (0.41) PIK3CANPC1ALDH1A1MAPTKMT2A
SCHEMBL29944125 0.77 PIK3CA (0.41) PIK3CANPC1ALDH1A1MAPTKMT2A
SCHEMBL23630379 0.77 GABRP (0.45) PIK3CA

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
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