SCHEMBL30006632

SCHEMBL30006632

O=C(O)c1cnc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 3/20 0.50
KDM4E B2RXH2 4/20 0.47
HCAR2 Q8TDS4 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
KDM8 Q8N371 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIOX2 Q8IUF8 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
DHODH Q02127 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1173916 1.00 ASPH (0.50) ASPHKDM4EHCAR2NAPRTKDM8
SCHEMBL19645350 0.86 KMT2A (0.55) ASPHKMT2ATRPV4SIRT6
SCHEMBL991402 0.84 KDM4E (0.44) ASPHKDM4EHCAR2NAPRTKDM8
SCHEMBL15351579 0.84 KDM4E (0.44) ASPHKDM4EHCAR2NAPRTKDM8
SCHEMBL28285878 0.82 ALDH1A1 (0.42) ASPHKDM4EHCAR2NAPRTALDH1A1
SCHEMBL24723840 0.82 TRPV4 (0.41) ASPHALDH1A1KMT2ATRPV4DHODH
SCHEMBL3343051 0.79 KDM4E (0.47) ASPHKDM4EHCAR2NAPRTKDM8
SCHEMBL30112078 0.79 KDM4E (0.47) ASPHKDM4EHCAR2NAPRTKDM8
SCHEMBL70035 0.79 KDM4E (0.59) ASPHKDM4EHCAR2NAPRTKDM8
SCHEMBL30881480 0.79 KMT2A (0.36) ASPHKMT2ATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423096-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF Merck Sharp & Dohme LLC (US) 2024-09-04 EP disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
EP-4076524-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-10-26 EP disclosed