SCHEMBL30698330

SCHEMBL30698330

COc1cc2ncc(-c3nc(Cl)ccc3F)n2nc1C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 6/20 0.37
▸ FYN P06241 7/20 0.36
▸ LYN P07948 1/20 0.35
▸ DYRK1A Q13627 4/20 0.34
▸ DYRK2 Q92630 4/20 0.34
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CDK5 Q00535 3/20 0.34
▸ CDK5R1 Q15078 3/20 0.34
▸ DYRK1B Q9Y463 3/20 0.34
▸ DYRK3 O43781 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL24542580 0.84 FYN (0.35) RIPK2FYNDYRK1ADYRK2CCNA2
SCHEMBL30698345 0.84 FYN (0.40) RIPK2FYNDYRK1ADYRK2DYRK1B
SCHEMBL31000256 0.83 FYN (0.34) RIPK2FYNCDK2
SCHEMBL31639298 0.82 GABRA1 (0.35) RIPK2FYNGABRA1GABRG2GABRB3
SCHEMBL24542576 0.82 FYN (0.33) RIPK2FYNDYRK1ADYRK2DYRK1B
SCHEMBL27327090 0.78 FLT3 (0.35) FYN
SCHEMBL27329649 0.78 FLT3 (0.35) FYN
SCHEMBL31000288 0.77 DYRK1A (0.43) RIPK2FYNDYRK1ADYRK2DYRK1B
SCHEMBL31739935 0.76 FLT3 (0.40) FYN
SCHEMBL27330460 0.76 NRAS (0.48) FYN

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
EP-4540248-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-04-23 — — EP disclosed
WO-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 — — WO disclosed
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