SCHEMBL16249161

SCHEMBL16249161

c1ccc(-c2nnc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2-c2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL16249156 0.96 AKT1 (0.50) AKT1SMN1; SMN2HIF1A
SCHEMBL16249157 0.89 AKT1 (0.46) AKT1SMN1; SMN2HIF1A
SCHEMBL29349692 0.88 SMN1; SMN2 (0.51) AKT1SMN1; SMN2HIF1A
SCHEMBL28949385 0.88 SMN1; SMN2 (0.51) AKT1SMN1; SMN2HIF1A
SCHEMBL44765 0.88 SMN1; SMN2 (0.51) AKT1SMN1; SMN2HIF1A
SCHEMBL16249155 0.84
SCHEMBL16249154 0.84 THRB (0.47) AKT1SMN1; SMN2HIF1A
SCHEMBL16241067 0.82 TSHR (0.49) AKT1SMN1; SMN2HIF1A
SCHEMBL19289688 0.82 TSHR (0.47) AKT1SMN1; SMN2HIF1A
SCHEMBL16249158 0.82 AVPR1A (0.46)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9054320-B2 1, 2, 4-triazole-based derivative, production process and use thereof, and organic electroluminescent device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-06-09 US disclosed
US-9054320-B2 1, 2, 4-triazole-based derivative, production process and use thereof, and organic electroluminescent device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-06-09 US disclosed
US-20140343293-A1 1, 2, 4-TRIAZOLE-BASED DERIVATIVE, PRODUCTION PROCESS AND USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE JiLin OLED Material Tech. Co., LTD. (CN) 2014-11-20 US disclosed
US-20140343293-A1 1, 2, 4-TRIAZOLE-BASED DERIVATIVE, PRODUCTION PROCESS AND USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE JiLin OLED Material Tech. Co., LTD. (CN) 2014-11-20 US disclosed