SCHEMBL30400402

SCHEMBL30400402

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5cc6ccncc6s5)c4c3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.58
▸ IL2 P60568 4/20 0.58
▸ MAP3K11 Q16584 6/20 0.47
▸ TDO2 P48775 1/20 0.46
▸ TNIK Q9UKE5 7/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ IKBKB O14920 2/20 0.43
▸ CHUK O15111 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ INSR P06213 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ SGK1 O00141 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ MET P08581 1/20 0.42

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
SCHEMBL26175600 1.00 MAP4K1 (0.58) MAP4K1IL2MAP3K11TDO2TNIK
SCHEMBL26175638 0.90 IL2 (0.47) MAP4K1IL2MAP3K11TNIKCDK2
SCHEMBL26174832 0.85 CLK1 (0.47) MAP4K1IL2CDK2FLT3ROCK2
SCHEMBL26175197 0.83 DYRK1A (0.48) MAP4K1IL2TDO2CLK1DYRK1A
SCHEMBL30400148 0.83 DYRK1A (0.48) MAP4K1IL2TDO2CLK1DYRK1A
SCHEMBL26177407 0.82 DYRK1A (0.47) MAP4K1IL2CDK2FLT3ROCK2
SCHEMBL30399189 0.82 DYRK1A (0.47) MAP4K1IL2CDK2FLT3ROCK2
SCHEMBL26175331 0.81 PDPK1 (0.52) MAPK1
SCHEMBL26174870 0.80 TNIK (0.50) MAP4K1MAP3K11TNIKCDK2IKBKB
SCHEMBL26175446 0.80 CCNT1 (0.57) TNIKCDK2NTRK1CLK1DYRK1A

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
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