SCHEMBL25555580

SCHEMBL25555580

CC(C)c1cc2nnn(C)c2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 5/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ CYP19A1 P11511 3/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HPGD P15428 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MGAM O43451 2/20 0.32
▸ AMY1A P0DUB6 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ SI P14410 2/20 0.32

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
SCHEMBL3279246 0.81 PKM (0.38) KEAP1HCAR3HPGDPOLBMGAM
SCHEMBL19848287 0.81 KEAP1 (0.47) KEAP1SLC9A1HCAR3CYP19A1CYP11B1
SCHEMBL25881417 0.79 HCAR3 (0.41) KEAP1SLC9A1HCAR3CYP19A1RAB9A
SCHEMBL25556243 0.77 KEAP1 (0.47) KEAP1SLC9A1HCAR3CYP19A1CYP11B1
SCHEMBL25881312 0.76 HCAR3 (0.41) KEAP1SLC9A1HCAR3CYP19A1RAB9A
SCHEMBL25221496 0.75 KEAP1 (0.41) KEAP1SLC9A1HCAR3CYP19A1CYP11B1
SCHEMBL8562891 0.73 KEAP1 (0.47) KEAP1SLC9A1HCAR3CYP19A1CYP11B1
SCHEMBL10777056 0.71 KEAP1 (0.41) KEAP1SLC9A1HCAR3CYP19A1CYP11B1
SCHEMBL11532299 0.71 KDM4E (0.49) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL25210239 0.69 PGK1 (0.44) HCAR3RAB9ANPC1MEN1KMT2A

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
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
WO-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 — — WO disclosed
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