SCHEMBL30348362

SCHEMBL30348362

CN1CCN(c2cccc(Nc3nc(-c4ccc5ncc(Cl)n5n4)c4cc[nH]c4n3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.48
CDK2 P24941 7/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
FLT3 P36888 3/20 0.46
CCNE1 P24864 2/20 0.46
MNAT1 P51948 1/20 0.46
JAK2 O60674 4/20 0.44
BRD4 O60885 1/20 0.44
PTK2 Q05397 4/20 0.44
CCNT1 O60563 4/20 0.44
CCNA2 P20248 4/20 0.44
CDK9 P50750 4/20 0.44
JAK3 P52333 3/20 0.44
WEE1 P30291 1/20 0.42
AURKA O14965 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41

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
SCHEMBL30347270 0.91 TTK (0.49) TTKCDK2CDK1CCNB1CDK7
SCHEMBL30346733 0.87 TTK (0.44) TTKCDK2CDK1CCNB1CDK7
SCHEMBL30346516 0.85 TTK (0.47) TTKCDK2JAK2PTK2JAK3
SCHEMBL25208686 0.84 CDK2 (0.58) CDK2CDK1CCNB1CDK7CCNH
SCHEMBL30406799 0.84 CDK2 (0.58) CDK2CDK1CCNB1CDK7CCNH
SCHEMBL4256785 0.79 JAK2 (0.57) TTKCDK2CDK1CCNB1CDK7
SCHEMBL30347590 0.78 TTK (0.45) TTKCDK2CDK1CCNB1CDK7
SCHEMBL30348674 0.78 TGFBR1 (0.41) TTK
SCHEMBL30347298 0.78 JAK2 (0.41) TTKCDK2CDK1CCNB1CCNE1
SCHEMBL30348029 0.77 TTK (0.37) TTKCDK2JAK2PTK2JAK3

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-4415818-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 EP claimed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO claimed