SCHEMBL31639231

SCHEMBL31639231

CCc1cn2nc(C3CC3)c(OC)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PROKR1 Q8TCW9 1/20 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
SCHEMBL31639301 0.88 KDM4E (0.34) HPGDKDM4EALDH1A1DRD2HTR1A
SCHEMBL31639434 0.84 KDM4E (0.32) HPGDKDM4EALDH1A1DRD2HTR1A
SCHEMBL31639341 0.82 PDE10A (0.34) HPGDKDM4EALDH1A1MEN1TSHR
SCHEMBL31639113 0.77 KDM4E (0.50) HPGDKDM4EALDH1A1TSHRKMT2A
SCHEMBL31639289 0.76 KDM4E (0.36) HPGDKDM4EALDH1A1MEN1TSHR
SCHEMBL30632316 0.72 JUND (0.34) HPGDKDM4EALDH1A1MEN1TSHR
SCHEMBL24542494 0.71 CHRM5 (0.40) ADRA1APDE10AACVR2ATGFBR2LRRK2
SCHEMBL30698334 0.70 KDM4E (0.32) KDM4EALDH1A1MAPT
SCHEMBL31000185 0.70 ACVR2A (0.32) ACVR2ATGFBR2LRRK2
SCHEMBL30852941 0.69 ACVR2A (0.41) HPGDKDM4EALDH1A1MEN1TSHR

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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