SCHEMBL30272008

SCHEMBL30272008

CC(C)(C)OC(=O)N1CC(n2cc(Br)c(C(F)F)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.48
FPR2 P25090 2/20 0.39
RORC P51449 2/20 0.38
USP30 Q70CQ3 2/20 0.37
NR1H2 P55055 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 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
SCHEMBL23728575 0.84 KDM5A (0.42) KDM5ARORCHTTATMGPR119
SCHEMBL30318388 0.83 KDM5A (0.44) KDM5AFPR2RORCUSP30NR1H2
SCHEMBL21791736 0.82 ALDH1A1 (0.41) KDM5AFPR2RORCUSP30NR1H2
SCHEMBL31228739 0.77 KDM5A (0.45) KDM5AFPR2HTTATMGPR119
SCHEMBL31228630 0.75 KDM5A (0.43) KDM5AFPR2HTTATMGPR119
SCHEMBL31237017 0.75 PIK3CA (0.43) KDM5AHTTGPR119
SCHEMBL21997425 0.74 CTSD (0.43) HTTGPR119
SCHEMBL28457723 0.74 USP30 (0.44) KDM5AFPR2RORCUSP30KCNK3
SCHEMBL3598372 0.74 KDM5A (0.43) KDM5AFPR2RORCUSP30NR1H2
SCHEMBL31056160 0.74 FPR2 (0.42) FPR2RORCUSP30NR1H2GPR119

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-4387964-A1 JAK2 INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-06-26 EP disclosed
WO-2023027948-A1 JAK2 INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed