SCHEMBL21887375

SCHEMBL21887375

CCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Nc3ccccc3O)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ TP53 P04637 3/20 0.39

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
SCHEMBL21887777 0.92 MAPT (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21887372 0.91 TDP1 (0.44) KDM4EALDH1A1RAB9AADORA3ADORA2A
SCHEMBL21887781 0.91 NPSR1 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL22092637 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31245714 0.85 TYK2 (0.54) —
SCHEMBL22092677 0.84 TYK2 (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21811192 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21887378 0.83 KCNH2 (0.44) KDM4EALDH1A1NPSR1HTTL3MBTL1
SCHEMBL21811164 0.82 AKR1C3 (0.46) KDM4EALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL21227342 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-3849981-B1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS LILLY CO ELI (US) 2023-02-01 — — EP disclosed
WO-2020055636-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS ELI LILLY AND COMPANY (US) 2020-03-19 — — WO disclosed
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