SCHEMBL30375232

SCHEMBL30375232

O=c1c2ccc(Br)cc2cnn1Cc1cccc(OC(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
GRK2 P25098 2/20 0.45
AURKA O14965 1/20 0.45
ROCK1 Q13464 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
PKM P14618 2/20 0.41
KAT2B Q92831 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
P2RX7 Q99572 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
DAO P14920 1/20 0.38
MEP1B Q16820 1/20 0.38
ALKBH1 Q13686 1/20 0.38
HCRTR1 O43613 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
SCHEMBL25180540 1.00 ROCK2 (0.51) ROCK2NPC1RAB9AKMT2AGRK2
SCHEMBL30375530 0.87 ROCK2 (0.51) ROCK2NPC1RAB9AKMT2AGRK2
SCHEMBL25191066 0.87 ROCK2 (0.51) ROCK2NPC1RAB9AKMT2AGRK2
SCHEMBL29276417 0.84 ROCK2 (0.50) ROCK2NPC1RAB9AKMT2AGRK2
SCHEMBL20786971 0.80 TDP1 (0.55) ROCK2NPC1RAB9AKMT2ATDP1
SCHEMBL25173805 0.80 ROCK2 (0.53) ROCK2GRK2AURKAROCK1RPS6KA1
SCHEMBL25179853 0.79 ROCK2 (0.45) ROCK2GRK2AURKAROCK1RPS6KA1
SCHEMBL30374973 0.79 ROCK2 (0.45) ROCK2GRK2AURKAROCK1RPS6KA1
SCHEMBL25198907 0.77 ROCK2 (0.44) ROCK2NPC1RAB9AKMT2AGRK2
SCHEMBL30375364 0.77 ROCK2 (0.44) ROCK2NPC1RAB9AKMT2AGRK2

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-4426681-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS Sitryx Therapeutics Limited (GB) 2024-09-11 EP disclosed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO disclosed