SCHEMBL31639581

SCHEMBL31639581

COc1cc2nc(C(C)(C)O)c(-c3ccc(F)c(Cl)n3)n2nc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.37
▸ POLB P06746 2/20 0.34
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL31639441 0.85 SMPD3 (0.34) POLBTP53HPGDPDE2A
SCHEMBL31639315 0.81 POLB (0.31) POLB
SCHEMBL31639603 0.79 DHODH (0.35) POLBTP53HPGD
SCHEMBL31639364 0.79 TNF (0.32) TNF
SCHEMBL31639293 0.76 TRPV3 (0.37) TP53HPGD
SCHEMBL31639308 0.75 TRPV3 (0.31) POLB
SCHEMBL30698345 0.72 FYN (0.40) TNF
SCHEMBL31639345 0.65 FYN (0.36) —
SCHEMBL31639289 0.64 KDM4E (0.36) HPGDPDE10A
SCHEMBL31639512 0.63 PDE4D (0.33) PDE10A

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-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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