SCHEMBL30399189

SCHEMBL30399189

CN1CCN(c2cc(Nc3cnc4[nH]cc(-c5cc6ccncc6s5)c4c3)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ CLK1 P49759 4/20 0.43
▸ CDK2 P24941 6/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ CCNT1 O60563 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ IL2 P60568 3/20 0.38
▸ MAP4K1 Q92918 3/20 0.38
▸ DYRK1B Q9Y463 3/20 0.37
▸ IGF1R P08069 2/20 0.36
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL26177407 1.00 DYRK1A (0.47) DYRK1ACLK2CLK3CLK1CDK2
SCHEMBL26175638 0.86 IL2 (0.47) DYRK1ACLK2CLK3CLK1CDK2
SCHEMBL26174832 0.83 CLK1 (0.47) DYRK1ACLK1CDK2FLT3CDK1
SCHEMBL30400402 0.82 MAP4K1 (0.58) DYRK1ACLK1CDK2FLT3CDK1
SCHEMBL26175600 0.82 MAP4K1 (0.58) DYRK1ACLK1CDK2FLT3CDK1
SCHEMBL25157096 0.81 CLK2 (0.62) DYRK1ACLK2CLK3CDK2FLT3
SCHEMBL30347771 0.81 CLK2 (0.62) DYRK1ACLK2CLK3CDK2FLT3
SCHEMBL26177455 0.81 DYRK1A (0.57) DYRK1ACLK2CLK3CLK1CDK2
SCHEMBL30400148 0.79 DYRK1A (0.48) DYRK1ACLK2CLK3CLK1IL2
SCHEMBL26175197 0.79 DYRK1A (0.48) DYRK1ACLK2CLK3CLK1IL2

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
Send feedback