SCHEMBL29476287

SCHEMBL29476287

COC(=O)c1cc(C(F)(F)F)c(-c2ccc(F)cc2F)cc1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.41
▸ CFTR P13569 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ P2RY1 P47900 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL23539711 1.00 ALPL (0.41) ALPLCFTRSMN1; SMN2LMNARAB9A
SCHEMBL29654688 0.88 KDM4E (0.44) SMN1; SMN2LMNAMAPTNPC1KDM4E
SCHEMBL23539997 0.88 KDM4E (0.44) SMN1; SMN2LMNAMAPTNPC1KDM4E
SCHEMBL29476278 0.86 SLC6A4 (0.49) CFTRSMN1; SMN2LMNARAB9ANPC1
SCHEMBL23541000 0.86 SLC6A4 (0.49) CFTRSMN1; SMN2LMNARAB9ANPC1
SCHEMBL25484858 0.84 ALPL (0.43) ALPLSMN1; SMN2LMNARAB9AMAPT
SCHEMBL23539577 0.83 ALPL (0.43) ALPLCFTRSMN1; SMN2LMNARAB9A
SCHEMBL29476206 0.83 ALDH1A1 (0.40) ALPLCFTRRAB9AMAPTNPC1
SCHEMBL23539849 0.83 ALDH1A1 (0.40) ALPLCFTRRAB9AMAPTNPC1
SCHEMBL23539751 0.82 CFTR (0.56) ALPLCFTRMAPTKDM4EPDK2

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
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 — — EP disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 — — EP disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 — — WO disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 — — WO disclosed
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