SCHEMBL30254819

SCHEMBL30254819

Cn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(-c4ccccc4)n3)nc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 0.46
▸ ALDH1A1 P00352 15/20 0.46
▸ HSD17B10 Q99714 15/20 0.46
▸ HPGD P15428 14/20 0.46
▸ CYP3A4 P08684 10/20 0.46
▸ TSHR P16473 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL25737761 1.00 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL25733561 0.96 ROCK2 (0.41) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL31731027 0.96 ROCK2 (0.41) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL30439891 0.92 HDAC1 (0.43) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL25275428 0.92 HDAC1 (0.43) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL25733565 0.90 PDE10A (0.40) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL30902946 0.90 PDE10A (0.40) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL31730904 0.90 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL25733566 0.90 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL25235973 0.88 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 — — CN disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
EP-4161519-A1 PURINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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