SCHEMBL31583384

SCHEMBL31583384

CC(C)n1nc(F)c2cccc(Br)c21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.38
▸ MPO P05164 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL31582707 0.81 KDM4E (0.39) ESR1MPOALDH1A1CYP1A2CYP2C19
SCHEMBL27140925 0.77 JAK2 (0.35) JAK2BTKLMNA
SCHEMBL30847980 0.73 JAK2 (0.30) JAK2BTK
SCHEMBL28243173 0.72 MPO (0.42) MPOALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL31582836 0.69 ESR1 (0.34) ESR1POLB
SCHEMBL31140840 0.67 ESR1 (0.38) ESR1MPOALDH1A1CYP1A2CYP2C19
SCHEMBL18212231 0.67 ESR1 (0.41) ESR1MPOALDH1A1CYP1A2CYP2C19
SCHEMBL31698039 0.66 ESR1 (0.40) ESR1
SCHEMBL4083412 0.66 NOS1 (0.34) SMN1; SMN2LMNA
SCHEMBL31582863 0.64 ADORA3 (0.40) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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