SCHEMBL30656353

SCHEMBL30656353

N#Cc1cc(C#N)c(NCCO)nc1N

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.63
CDK2 P24941 5/20 0.63
CCNA1 P78396 5/20 0.63
EGFR P00533 2/20 0.63
CHUK O15111 1/20 0.51
ACHE P22303 4/20 0.48
BCHE P06276 3/20 0.48
ADORA1 P30542 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
AURKA O14965 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
SCHEMBL21117070 0.78 KDM4E (0.42) CCNA2CDK2CCNA1EGFRACHE
SCHEMBL30656125 0.75 KDM4E (0.58) CHUKACHEBCHEALDH1A1KDM4E
SCHEMBL10987690 0.73 ADORA1 (0.46) CCNA2CDK2CCNA1EGFRCHUK
SCHEMBL13802923 0.72 CCNA2 (0.47) CCNA2CDK2CCNA1EGFRCHUK
SCHEMBL27883168 0.72 KDM4E (0.57) ACHESMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL30656058 0.71 ADORA1 (0.46) CCNA2CDK2CCNA1EGFRADORA1
SCHEMBL7291890 0.71 CYP1A2 (0.58) CCNA2CDK2CCNA1EGFRSMN1; SMN2
SCHEMBL7282692 0.70 SMN1; SMN2 (0.47) CCNA2CDK2CCNA1EGFRSMN1; SMN2
SCHEMBL29477047 0.70 CCNA2 (0.48) CCNA2CDK2CCNA1EGFRCHUK
SCHEMBL11701910 0.70 ADORA1 (0.52) CCNA2CDK2CCNA1EGFRCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447962-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2024-10-23 EP disclosed
WO-2023213761-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2023-11-09 WO disclosed