SCHEMBL19493110

SCHEMBL19493110

COc1cccc(-c2c(C)nn3c(C(C)C)c(C(C)=O)cnc23)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL20768116 0.79 PDE2A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL19492644 0.71 ALDH1A1 (0.40) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL20782378 0.63 MAPT (0.44) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL15862655 0.63 PDE2A (0.53) POLBTGFBR1
SCHEMBL22280894 0.62 KDM4E (0.57) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL19492615 0.62 KDM4E (0.40) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL28981721 0.61 POLB (0.40) ALDH1A1KDM4EPOLBHPGD
SCHEMBL19463663 0.60 KDM4E (0.50) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL29310630 0.60 BTK (0.42) TGFBR1
SCHEMBL20723160 0.59 MAPT (0.48) MAPTALDH1A1LMNAKDM4ETSHR

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-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 — — EP disclosed
WO-2017178416-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2017-10-19 — — WO disclosed
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