SCHEMBL29066876

SCHEMBL29066876

CP(C)c1c(C#N)ccc2cc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ TAF1 P21675 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ PRKCQ Q04759 4/20 0.34
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ AHR P35869 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ IKBKB O14920 1/20 0.30
▸ CHUK O15111 1/20 0.30

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
SCHEMBL21178948 0.73 TNF (0.53) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL30687262 0.73 TNF (0.44) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL22076299 0.73 IMPDH2 (0.39) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL20157532 0.72 IMPDH2 (0.36) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL29492540 0.70 BRD4 (0.40) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL25596753 0.70 NR3C1 (0.40) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL29066861 0.69 DYRK1A (0.44) IMPDH2IMPDH1CHEK1
SCHEMBL29361477 0.68 AHR (0.50) IMPDH2IMPDH1BRD4TAF1BRPF1
SCHEMBL1420318 0.68 AHR (0.50) IMPDH2IMPDH1BRD4TAF1BRPF1
Hydrochloric Acid SCHEMBL29363603 0.67 AHR (0.48) IMPDH2IMPDH1BRD4TAF1BRPF1

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-116693538-A Pyrazolopyrimidine derivative, and preparation method and application thereof 成都苑东生物制药股份有限公司 2023-09-05 — — CN disclosed
Send feedback