SCHEMBL31707888

SCHEMBL31707888

CCn1cnc2c(N[C@H]3CCNC3)nc(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 5/20 0.50
▸ ADORA3 P0DMS8 5/20 0.43
▸ ADORA2A P29274 4/20 0.43
▸ ADORA1 P30542 4/20 0.43
▸ CLK1 P49759 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ ADORA2B P29275 1/20 0.42
▸ CDK1 P06493 2/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41

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
Hydrochloric Acid SCHEMBL31707853 0.99 YTHDC1 (0.49) YTHDC1ADORA3ADORA2AADORA1CLK1
SCHEMBL17929772 0.87 YTHDC1 (0.63) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL28024961 0.86 CTSL (0.41) CLK1CLK2CLK4CDK1PRKCA
Hydrochloric Acid SCHEMBL31707879 0.85 CDK1 (0.43) CLK1CLK2CLK4CDK1CTSL
SCHEMBL23547543 0.80 CTSL (0.46) YTHDC1CDK1PRKCACTSLCTSB
SCHEMBL31707865 0.79 CDK2 (0.63) CLK1CLK2CLK4CDK1
Hydrochloric Acid SCHEMBL31707861 0.79 CDK2 (0.62) CLK1CLK2CLK4CDK1
SCHEMBL31707891 0.79 CDK2 (0.56) CLK1CLK2CLK4CDK1
Hydrochloric Acid SCHEMBL31692643 0.79 CDK2 (0.62) CLK1CLK2CLK4CDK1
SCHEMBL31707907 0.79 CDK2 (0.56) CLK1CLK2CLK4CDK1

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-4634186-A1 2,6,9-TRISUBSTITUTED PURINES Astrazeneca AB (SE) 2025-10-22 — — EP disclosed
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