SCHEMBL21887372

SCHEMBL21887372

COc1ccc(CN(C)c2cc(Nc3ccccc3O)nc3c(C(=O)O)cnn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ MAPT P10636 6/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYK2 P29597 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 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
SCHEMBL21811164 0.91 AKR1C3 (0.46) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL21887375 0.91 KDM4E (0.42) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL21887378 0.88 KCNH2 (0.44) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL22092692 0.85 POLB (0.44) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL21887373 0.84 TYK2 (0.59) TYK2
SCHEMBL31245701 0.83 TYK2 (0.64) TYK2
SCHEMBL22092672 0.82 TYK2 (0.47) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL21887777 0.82 MAPT (0.44) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL26098304 0.82 PTPN1 (0.49) TDP1KDM4EALDH1A1HTTNPSR1
SCHEMBL21887781 0.81 NPSR1 (0.43) TDP1KDM4EALDH1A1HTTNPSR1

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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