SCHEMBL30399648

SCHEMBL30399648

CN1CCN(c2cccc(Nc3ccc4c(-c5ccc6ncnn6c5)c[nH]c4n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.49
CDK2 P24941 4/20 0.49
CCNE1 P24864 3/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
MNAT1 P51948 2/20 0.49
JAK2 O60674 10/20 0.40
JAK3 P52333 9/20 0.40
PTK2 Q05397 9/20 0.40
IGF1R P08069 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MAP4K4 O95819 1/20 0.39
DYRK1A Q13627 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL26176198 1.00 FLT3 (0.49) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL26176199 0.88 CDK2 (0.49) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL30399562 0.88 CDK2 (0.49) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL30348240 0.88 CDK2 (0.53) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL25214166 0.88 CDK2 (0.53) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL30399447 0.85 FLT3 (0.51) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL26176191 0.85 FLT3 (0.51) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL26176219 0.81 CDK2 (0.54) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL30400250 0.80 CDK2 (0.57) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL26176213 0.80 CDK2 (0.57) FLT3CDK2CCNE1CDK1CCNB1

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-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 EP claimed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO claimed