SCHEMBL31000120

SCHEMBL31000120

COc1cc2ncc(-c3ccnc(N[C@H]4CNC[C@@H]4F)n3)n2nc1N1CC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.35
▸ TTK P33981 1/20 0.35
▸ FLT3 P36888 6/20 0.34
▸ NRAS P01111 5/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ MAPK8 P45983 3/20 0.33
▸ LCK P06239 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ DYRK1B Q9Y463 3/20 0.33
▸ DYRK3 O43781 2/20 0.33
▸ DYRK2 Q92630 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ SIK1 P57059 2/20 0.33
▸ SIK2 Q9H0K1 2/20 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
SCHEMBL31739610 0.93 FLT3 (0.39) IGF1RTTKFLT3NRASIRAK4
SCHEMBL31557787 0.84 FLT3 (0.37) IGF1RTTKFLT3NRASIRAK4
SCHEMBL24975656 0.84 FLT3 (0.37) IGF1RTTKFLT3NRASIRAK4
SCHEMBL31000194 0.82 CFTR (0.38) IGF1RDYRK2CCNT1CDK9
SCHEMBL31000186 0.82 IGF1R (0.34) IGF1RFLT3NRASIRAK4MAPK8
SCHEMBL31000184 0.79 FLT3 (0.39) IGF1RFLT3NRASIRAK4MAPK8
SCHEMBL31000254 0.78 DYRK1A (0.40) TTKDYRK1ADYRK1BDYRK3DYRK2
SCHEMBL31557816 0.77 FLT3 (0.41) IGF1RFLT3NRASIRAK4MAPK8
SCHEMBL24975698 0.77 FLT3 (0.41) IGF1RFLT3NRASIRAK4MAPK8
SCHEMBL27362507 0.77 FLT3 (0.41) IGF1RFLT3NRASIRAK4MAPK8

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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