SCHEMBL21067987

SCHEMBL21067987

Nc1nccc(-c2csc(N)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.55
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
KDM4B O94953 2/20 0.50
KDM5C P41229 2/20 0.50
KDM5B Q9UGL1 2/20 0.50
AURKA O14965 1/20 0.50
PRKACA P17612 1/20 0.50
ADORA2A P29274 1/20 0.50
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
KDM3A Q9Y4C1 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CDK4 P11802 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL24457726 0.83 CDK4 (0.54) HSP90AA1ALDH1A1KDM4EKDM4BKDM5C
SCHEMBL10719025 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHSD17B10NPC1
SCHEMBL6835805 0.77 LMNA (0.47) ALDH1A1KDM4EKDM4BKDM5CKDM5B
Bromide SCHEMBL6841110 0.75 LMNA (0.46) ALDH1A1KDM4EKDM4BKDM5CKDM5B
SCHEMBL30872470 0.74 ALDH1A1 (0.46) HSP90AA1ALDH1A1KDM4EKDM4BKDM5C
SCHEMBL29039419 0.74 HSP90AA1 (0.49) HSP90AA1ALDH1A1KDM4EKDM4BKDM5C
SCHEMBL6840084 0.74 KDM4B (0.46) ALDH1A1KDM4EKDM4BKDM5CKDM5B
SCHEMBL23071629 0.74 HSP90AA1 (0.63) HSP90AA1ALDH1A1KDM4EAURKAPRKACA
SCHEMBL128834 0.72 CYP19A1 (0.62) HSP90AA1ALDH1A1KDM4EKDM4BKDM5C
SCHEMBL29516285 0.72 CYP19A1 (0.62) HSP90AA1ALDH1A1KDM4EKDM4BKDM5C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed